UCSF

ZINC49569016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 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) 1.77 6.51 -38.81 2 3 1 29 222.287 2
Hi High (pH 8-9.5) 1.77 4 -3.54 1 3 0 28 221.279 2

Activity (Go SEA)

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