UCSF

ZINC12822086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 31 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) 1.95 9.23 -24.79 0 7 0 85 440.569 4
Mid Mid (pH 6-8) 1.95 9.65 -37.09 1 7 1 86 441.577 4

Activity (Go SEA)

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