UCSF

ZINC01796643

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 32 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 3.67 -21.28 4 10 0 149 562.178 5
Ref Reference (pH 7) 3.50 1.13 -20.77 4 10 0 149 562.178 5
Hi High (pH 8-9.5) 3.50 2.03 -48.27 3 10 -1 152 561.17 5
Hi High (pH 8-9.5) 3.96 0.28 -87.35 2 10 -2 155 560.162 5
Hi High (pH 8-9.5) 3.50 1.76 -55.94 3 10 -1 152 561.17 5
Hi High (pH 8-9.5) 3.50 1.92 -51.29 3 10 -1 152 561.17 5
Hi High (pH 8-9.5) 3.96 0.01 -94.12 2 10 -2 155 560.162 5
Hi High (pH 8-9.5) 3.96 -0.78 -53.91 3 10 -1 152 561.17 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )