UCSF

ZINC35289162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) -0.79 -0.87 -16.26 3 7 0 101 292.291 5
Hi High (pH 8-9.5) 0.51 -1.07 -59.48 2 7 -1 104 291.283 5

Activity (Go SEA)

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