UCSF

ZINC34333554

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 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) 4.04 7.73 -5.87 0 1 0 13 185.27 3
Mid Mid (pH 6-8) 4.04 8.17 -28.75 1 1 1 14 186.278 3

Activity (Go SEA)

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