UCSF

ZINC39859812

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 2.86 7.1 -4.7 0 2 0 27 214.312 2
Mid Mid (pH 6-8) 2.86 9.14 -38.39 1 2 1 28 215.32 2

Activity (Go SEA)

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