UCSF

ZINC43073701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 3.24 10.12 -39.46 1 2 1 9 239.342 0
Mid Mid (pH 6-8) 3.24 7.93 -6.09 0 2 0 8 238.334 0

Activity (Go SEA)

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