UCSF

ZINC42432906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) -0.61 -0.93 -34.95 5 5 1 83 188.251 4
Hi High (pH 8-9.5) -0.61 -3.53 -8.08 4 5 0 82 187.243 4
Hi High (pH 8-9.5) -0.61 -3.19 -6.44 4 5 0 82 187.243 4

Activity (Go SEA)

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