UCSF

ZINC40137793

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 6.23 10.68 -14.61 2 7 0 93 508.372 6
Hi High (pH 8-9.5) 6.23 11.69 -57.09 1 7 -1 96 507.364 6

Activity (Go SEA)

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