UCSF

ZINC40100108

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 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) 4.66 8.45 -57.6 1 6 -1 90 491.333 7
Hi High (pH 8-9.5) 4.66 9.36 -115.52 0 6 -2 93 490.325 7
Lo Low (pH 4.5-6) 4.66 7.7 -16.93 2 6 0 87 492.341 7

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