UCSF

ZINC40866137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 35 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) 7.30 16.88 -39.59 0 4 -1 74 481.697 11
Mid Mid (pH 6-8) 6.55 15.97 -10.59 0 4 0 68 482.705 11

Activity (Go SEA)

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