UCSF

ZINC20081758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.17 8 -132.86 4 2 2 32 266.404 5
Mid Mid (pH 6-8) 3.17 6.14 -49.61 3 2 1 31 265.396 5

Activity (Go SEA)

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