UCSF

ZINC34677023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 24 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) 0.95 0.53 -44 3 7 1 83 339.46 8
Mid Mid (pH 6-8) 0.95 -1.77 -8.3 2 7 0 82 338.452 8
Lo Low (pH 4.5-6) 0.95 0.51 -42.43 3 7 1 83 339.46 8

Activity (Go SEA)

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