UCSF

ZINC31977853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.08 3.75 -87.6 4 4 2 45 251.374 5
Mid Mid (pH 6-8) 1.08 1.29 -45.9 3 4 1 43 250.366 5
Mid Mid (pH 6-8) 1.08 3.68 -90.97 4 4 2 45 251.374 5

Activity (Go SEA)

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