UCSF

ZINC21794248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 3.62 8.2 -37.47 3 6 1 71 340.451 5
Mid Mid (pH 6-8) 3.62 8.03 -35.22 3 6 1 71 340.451 5
Mid Mid (pH 6-8) 3.62 7.76 -12.81 2 6 0 70 339.443 5

Activity (Go SEA)

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