UCSF

ZINC34574927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 3.46 12.04 -53.46 1 2 1 28 291.418 4
Mid Mid (pH 6-8) 3.46 9.77 -7.43 0 2 0 27 290.41 4

Activity (Go SEA)

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