UCSF

ZINC39018733

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 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) 1.30 5.21 -115.95 4 2 2 32 198.354 2
Mid Mid (pH 6-8) 1.30 3.29 -40.03 3 2 1 31 197.346 2

Activity (Go SEA)

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