UCSF

ZINC45693439

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.80 5.3 -46.39 3 4 1 49 278.42 8
Mid Mid (pH 6-8) 1.80 5.79 -40.77 3 4 1 46 278.42 8

Activity (Go SEA)

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