UCSF

ZINC44690613

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 1.44 4.44 -31.24 2 3 1 26 213.345 5
Lo Low (pH 4.5-6) 1.44 5.49 -102.6 3 3 2 30 214.353 5

Activity (Go SEA)

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