UCSF

ZINC63120842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 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) 1.35 6.45 -78.24 3 3 2 24 241.423 4
Mid Mid (pH 6-8) 1.35 8.24 -167.02 4 3 3 25 242.431 4

Activity (Go SEA)

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