UCSF

ZINC65492267

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 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) 2.73 8.7 -39.82 1 3 1 21 284.427 5
Mid Mid (pH 6-8) 2.73 8.64 -77.95 2 3 2 22 285.435 5
Lo Low (pH 4.5-6) 2.73 10.78 -101.72 2 3 2 22 285.435 5

Activity (Go SEA)

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