UCSF

ZINC43966803

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 3.17 7.1 -102.64 3 3 2 30 258.45 9
Mid Mid (pH 6-8) 3.17 6.04 -25.98 2 3 1 26 257.442 9

Activity (Go SEA)

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