UCSF

ZINC36884024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.78 5.55 -114.73 4 2 2 32 198.354 5
Mid Mid (pH 6-8) 1.78 4.27 -40.46 3 2 1 31 197.346 5
Mid Mid (pH 6-8) 1.78 5.42 -25.8 3 2 1 30 197.346 5

Activity (Go SEA)

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