UCSF

ZINC19881633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 No

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) 0.18 1.3 -9.02 1 5 0 53 273.336 3
Mid Mid (pH 6-8) 0.18 3.31 -43.57 2 5 1 54 274.344 3
Mid Mid (pH 6-8) 0.18 3.54 -46.56 2 5 1 54 274.344 3

Activity (Go SEA)

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