UCSF

ZINC05828023

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 12 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) -0.36 2.07 -12.98 1 4 0 55 168.127 1
Mid Mid (pH 6-8) 0.10 -0.67 -50.61 0 4 -1 58 167.119 1

Activity (Go SEA)

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