UCSF

ZINC19781927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 27 No

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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) 3.01 8.88 -49.59 1 7 1 72 372.445 7
Mid Mid (pH 6-8) 3.01 8.95 -44.1 1 7 1 72 372.445 7
Mid Mid (pH 6-8) 3.01 6.56 -10.21 0 7 0 71 371.437 7

Activity (Go SEA)

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