UCSF

ZINC37089927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.92 9.37 -37.89 2 2 1 26 353.255 5
Mid Mid (pH 6-8) 4.92 8.5 -4.17 1 2 0 21 352.247 5

Activity (Go SEA)

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