UCSF

ZINC20054172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 1.64 5.1 -41.66 3 4 1 46 250.366 7
Mid Mid (pH 6-8) 1.64 6.5 -109.73 4 4 2 50 251.374 7
Mid Mid (pH 6-8) 1.64 3.97 -47.68 3 4 1 49 250.366 7

Activity (Go SEA)

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