UCSF

ZINC02586196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) -0.26 4.04 -37.04 3 4 0 77 274.114 4
Hi High (pH 8-9.5) -0.26 3.71 -44.64 2 4 -1 75 273.106 4

Activity (Go SEA)

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