UCSF

ZINC19960267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.36 6.66 -42.1 2 4 1 38 291.415 5
Mid Mid (pH 6-8) 2.36 7.71 -34.77 2 4 1 35 291.415 5
Lo Low (pH 4.5-6) 2.36 8.76 -121.89 3 4 2 40 292.423 5

Activity (Go SEA)

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