UCSF

ZINC44244436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 1.62 4.31 -10.72 0 5 0 63 356.245 5
Lo Low (pH 4.5-6) 1.62 4.77 -39.99 1 5 1 64 357.253 5

Activity (Go SEA)

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