UCSF

ZINC06499056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 33 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) 1.44 7.51 -52.89 3 9 1 117 455.535 10
Mid Mid (pH 6-8) 0.85 8.18 -63.21 2 9 1 114 455.535 10
Lo Low (pH 4.5-6) 1.88 7.47 -130.17 4 9 2 118 456.543 9
Lo Low (pH 4.5-6) 0.85 8.47 -125.91 3 9 2 115 456.543 10

Activity (Go SEA)

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