UCSF

ZINC06424173

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 18 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) 2.56 6.49 -58.8 3 3 1 45 242.277 2
Mid Mid (pH 6-8) 2.56 6.94 -108.68 4 3 2 46 243.285 2

Activity (Go SEA)

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