UCSF

ZINC01742752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 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) 2.59 -0.23 -7.98 1 2 0 29 206.676 1
Mid Mid (pH 6-8) 2.59 -0.08 -31.45 2 2 1 30 207.684 1

Activity (Go SEA)

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