UCSF

ZINC04741493

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 16 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) 1.50 5.76 -39.89 3 4 1 59 222.312 5
Mid Mid (pH 6-8) 1.50 5.25 -13.95 2 4 0 58 221.304 5
Mid Mid (pH 6-8) 1.50 5.23 -13.24 2 4 0 58 221.304 5

Activity (Go SEA)

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