UCSF

ZINC40124594

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 1.55 4.83 -55.57 1 9 -1 134 381.32 4
Lo Low (pH 4.5-6) 1.55 4.07 -17.41 2 9 0 131 382.328 4

Activity (Go SEA)

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