UCSF

ZINC70513175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.71 7.8 -104.38 4 3 2 41 292.467 8
Mid Mid (pH 6-8) 2.71 5.56 -35.01 3 3 1 40 291.459 8

Activity (Go SEA)

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