UCSF

ZINC19608627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 24 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) 3.20 10.06 -45.88 1 4 1 34 325.432 6
Mid Mid (pH 6-8) 3.20 7.8 -6.71 0 4 0 33 324.424 6
Mid Mid (pH 6-8) 3.20 10.06 -42.44 1 4 1 34 325.432 6

Activity (Go SEA)

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