UCSF

ZINC12613804

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 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) 3.27 7.87 -45.69 3 7 1 79 410.542 6
Mid Mid (pH 6-8) 3.27 5.41 -12.73 2 7 0 78 409.534 6

Activity (Go SEA)

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