UCSF

ZINC09849426

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 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) 2.68 2.18 -39.85 1 2 1 17 241.358 5
Lo Low (pH 4.5-6) 2.68 2.29 -99.02 2 2 2 18 242.366 5

Activity (Go SEA)

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