UCSF

ZINC12611786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 26 No

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) 0.09 6 -15.15 2 9 0 111 354.37 6
Mid Mid (pH 6-8) 0.34 4.19 -47.45 3 9 1 119 355.378 5

Activity (Go SEA)

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