UCSF

ZINC34939489

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 12 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) 2.48 4.79 -40.92 2 2 1 40 167.276 2
Mid Mid (pH 6-8) 2.48 3.75 -4.22 1 2 0 36 166.268 2

Activity (Go SEA)

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