UCSF

ZINC02493522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) 2.37 9.3 -34.95 1 3 1 28 217.292 5
Mid Mid (pH 6-8) 2.37 8.79 -9.68 0 3 0 27 216.284 5

Activity (Go SEA)

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