UCSF

ZINC42899528

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 0.38 5.8 -106.31 4 3 2 47 189.262 3
Hi High (pH 8-9.5) 0.38 4.65 -6.76 2 3 0 44 187.246 3
Mid Mid (pH 6-8) 0.38 5 -52.6 3 3 1 45 188.254 3

Activity (Go SEA)

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