UCSF

ZINC39753854

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 3.73 5.53 -22.19 2 11 0 152 459.418 7
Hi High (pH 8-9.5) 3.80 2.95 -59.71 1 11 -1 159 458.41 7

Activity (Go SEA)

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