UCSF

ZINC44423173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 17 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) 3.83 7.98 -3.37 1 1 0 12 308.244 4
Lo Low (pH 4.5-6) 3.83 9.25 -42.78 2 1 1 17 309.252 4

Activity (Go SEA)

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