UCSF

ZINC33850911

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 34 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) 5.16 11.96 -16.35 2 6 0 84 472.545 8
Hi High (pH 8-9.5) 5.35 10.08 -43.97 1 6 -1 90 471.537 8

Activity (Go SEA)

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