UCSF

ZINC29319895

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 26 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) 1.14 7.53 -117.69 5 6 1 99 353.446 6
Mid Mid (pH 6-8) 1.14 5.21 -72.18 4 6 0 98 352.438 6

Activity (Go SEA)

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