UCSF

ZINC03894952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 19 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) 3.58 8.03 -36.09 2 2 1 34 292.449 2
Mid Mid (pH 6-8) 3.58 6.83 -5 1 2 0 29 291.441 2

Activity (Go SEA)

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