UCSF

ZINC42854017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 32 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) -2.95 -1.03 -87.98 7 15 0 216 475.399 10
Hi High (pH 8-9.5) -2.95 -1.42 -58.21 6 15 -1 214 474.391 10
Lo Low (pH 4.5-6) -2.95 -0.57 -109.54 8 15 1 217 476.407 10

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