UCSF

ZINC43472634

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 1.34 5.56 -33.46 3 4 1 54 236.27 4
Mid Mid (pH 6-8) 1.34 5.08 -8.53 2 4 0 53 235.262 4

Activity (Go SEA)

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