UCSF

ZINC40124545

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 1.95 1.89 -59.92 2 8 -1 117 461.244 4
Hi High (pH 8-9.5) 1.95 2.81 -116.1 1 8 -2 120 460.236 4
Lo Low (pH 4.5-6) 1.95 1.13 -20.07 3 8 0 114 462.252 4

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