UCSF

ZINC44514352

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) -0.26 4.1 -104.33 4 4 2 58 202.298 5
Mid Mid (pH 6-8) -0.26 1.86 -47.28 3 4 1 57 201.29 5

Activity (Go SEA)

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