UCSF

ZINC35151080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 13 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) 0.49 2.31 -6.19 1 4 0 48 187.239 5
Mid Mid (pH 6-8) 0.49 3.64 -40.37 2 4 1 52 188.247 5

Activity (Go SEA)

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