UCSF

ZINC02791383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 33 No

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Annotations

Vendors

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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) 4.95 12.94 -50.64 3 6 1 68 491.95 5
Hi High (pH 8-9.5) 5.67 12.09 -41.38 1 6 -1 64 489.934 5
Hi High (pH 8-9.5) 5.67 12.59 -53.34 2 6 0 65 490.942 5
Mid Mid (pH 6-8) 4.95 11.97 -10.55 2 6 0 67 490.942 5

Activity (Go SEA)

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