UCSF

ZINC21794142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 4.53 9.98 -37.3 3 6 1 71 380.516 5
Mid Mid (pH 6-8) 4.53 9.72 -32.67 3 6 1 71 380.516 5
Mid Mid (pH 6-8) 4.53 9.53 -13.88 2 6 0 70 379.508 5

Activity (Go SEA)

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