UCSF

ZINC44723283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) 0.90 2.04 -5.79 1 3 0 45 156.229 5
Lo Low (pH 4.5-6) 0.90 3.15 -41.75 2 3 1 50 157.237 5

Activity (Go SEA)

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