UCSF

ZINC58308032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 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) 1.91 9.38 -17.25 0 4 0 38 293.37 4
Lo Low (pH 4.5-6) 1.91 9.81 -40.71 1 4 1 39 294.378 4

Activity (Go SEA)

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