UCSF

ZINC20094655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.88 5.96 -36.13 2 4 1 34 251.398 5
Mid Mid (pH 6-8) 1.88 7.21 -120.63 3 4 2 39 252.406 5
Mid Mid (pH 6-8) 1.88 5.18 -41.94 2 4 1 38 251.398 5

Activity (Go SEA)

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