UCSF

ZINC22010392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 1.51 6.01 -48.38 1 4 -1 68 199.189 1
Mid Mid (pH 6-8) 1.51 6.43 -22.1 2 4 0 70 200.197 1

Activity (Go SEA)

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