UCSF

ZINC01358453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 1.87 5.13 -15.08 2 5 0 71 247.298 5
Lo Low (pH 4.5-6) 1.87 4.91 -30.24 3 5 1 72 248.306 5

Activity (Go SEA)

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