UCSF

ZINC25425977

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 2.16 2.61 -37.37 1 5 -1 78 242.258 3
Lo Low (pH 4.5-6) 1.70 3.43 -10.73 2 5 0 75 243.266 3

Activity (Go SEA)

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