UCSF

ZINC19883567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 3.89 6.25 -27.64 2 2 0 40 260.164 3
Mid Mid (pH 6-8) 3.89 5.75 -50.84 3 2 1 37 261.172 3

Activity (Go SEA)

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