UCSF

ZINC37809632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) -0.96 -1.92 -50.72 4 6 1 102 293.409 6
Hi High (pH 8-9.5) -0.96 -2.23 -17.96 3 6 0 101 292.401 6

Activity (Go SEA)

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