UCSF

ZINC34596473

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 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) 0.30 2.43 -133.17 6 2 2 55 166.268 4
Mid Mid (pH 6-8) 0.30 2.12 -43.72 5 2 1 54 165.26 4
Mid Mid (pH 6-8) 0.30 2.05 -43.05 5 2 1 54 165.26 4

Activity (Go SEA)

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