UCSF

ZINC22008308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 8 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) -0.08 -1.23 -40.2 2 2 0 31 114.192 1
Mid Mid (pH 6-8) -0.08 0.04 -37.2 3 2 1 29 115.2 1

Activity (Go SEA)

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