UCSF

ZINC12414141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 19 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) 2.16 2.6 -5.29 1 4 0 42 271.401 5
Mid Mid (pH 6-8) 2.16 4.9 -37.58 2 4 1 43 272.409 5

Activity (Go SEA)

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