UCSF

ZINC44722923

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 1.78 5.56 -37.99 3 4 1 46 260.361 5
Mid Mid (pH 6-8) 1.78 4.32 -45.24 3 4 1 49 260.361 5
Lo Low (pH 4.5-6) 1.78 6.73 -115.1 4 4 2 50 261.369 5

Activity (Go SEA)

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