UCSF

ZINC01423637

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 34 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) 3.55 2.61 -16.24 0 9 0 84 459.506 6
Mid Mid (pH 6-8) 3.55 2.85 -44.34 1 9 1 85 460.514 6

Activity (Go SEA)

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