UCSF

ZINC59555683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 18 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 4.42 -51.88 2 6 -1 107 261.294 12
Lo Low (pH 4.5-6) 0.90 2.44 -13.58 3 6 0 104 262.302 12

Activity (Go SEA)

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