UCSF

ZINC43969074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 12 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) 0.77 2.03 -30.65 2 3 1 29 175.296 6
Hi High (pH 8-9.5) 0.77 0.31 -2.27 1 3 0 24 174.288 6
Mid Mid (pH 6-8) 0.77 3.99 -102.09 3 3 2 30 176.304 6

Activity (Go SEA)

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