UCSF

ZINC40151262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 31 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) 3.68 11.85 -14.48 0 4 0 36 421.491 5
Lo Low (pH 4.5-6) 3.68 13.43 -60.87 1 4 1 38 422.499 5
Lo Low (pH 4.5-6) 3.68 13.87 -100.73 2 4 2 39 423.507 5

Activity (Go SEA)

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