UCSF

ZINC34958890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 2.27 5.45 -7.11 1 2 0 36 206.314 4
Lo Low (pH 4.5-6) 2.27 6.54 -47.98 2 2 1 40 207.322 4

Activity (Go SEA)

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