UCSF

ZINC12876769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 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) 1.10 6.05 -49.8 5 8 1 115 467.59 9
Mid Mid (pH 6-8) 1.10 5.72 -16.58 4 8 0 114 466.582 9

Activity (Go SEA)

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