UCSF

ZINC36777308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.08 1.29 -38.98 3 4 1 53 236.339 7
Mid Mid (pH 6-8) 0.08 2.01 -79.62 4 4 2 54 237.347 7
Mid Mid (pH 6-8) 0.08 4.22 -44.31 3 4 1 57 236.339 7

Activity (Go SEA)

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