UCSF

ZINC34681541

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 2.89 10.06 -43.55 2 6 1 63 381.431 5
Mid Mid (pH 6-8) 2.89 7.81 -10.52 1 6 0 62 380.423 5

Activity (Go SEA)

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