UCSF

ZINC47367537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 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) 0.82 0.04 -14.08 3 5 0 89 242.3 5
Mid Mid (pH 6-8) 0.82 0.04 -49.94 2 5 -1 91 241.292 5

Activity (Go SEA)

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