UCSF

ZINC02322256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 30 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) 6.22 15.73 -13.77 0 4 0 43 420.85 3
Lo Low (pH 4.5-6) 6.22 16.09 -44.68 1 4 1 45 421.858 3

Activity (Go SEA)

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