UCSF

ZINC42820106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.93 6.12 -40.41 2 4 1 52 230.328 8
Mid Mid (pH 6-8) 1.93 4.7 -6.41 1 4 0 48 229.32 8

Activity (Go SEA)

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