UCSF

ZINC22797257

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 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) 1.72 5.89 -46.97 3 8 1 84 439.536 8
Mid Mid (pH 6-8) 1.72 3.42 -10.39 2 8 0 83 438.528 8

Activity (Go SEA)

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