UCSF

ZINC34604769

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.06 3.48 -31.01 6 4 1 82 225.275 1
Mid Mid (pH 6-8) 2.06 3.35 -11.22 5 4 0 81 224.267 1

Activity (Go SEA)

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