UCSF

ZINC44676061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 16 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) 1.95 7.36 -117.35 4 2 2 33 218.344 6
Mid Mid (pH 6-8) 1.95 6.05 -36.15 3 2 1 29 217.336 6
Mid Mid (pH 6-8) 1.95 6.06 -40.1 3 2 1 29 217.336 6

Activity (Go SEA)

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