UCSF

ZINC34680826

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 3.20 10.43 -14.49 1 6 0 66 378.476 5
Mid Mid (pH 6-8) 3.20 10.8 -43.89 2 6 1 67 379.484 5

Activity (Go SEA)

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