UCSF

ZINC25963089

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 28 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) 0.78 8.73 -98.82 2 6 0 82 393.434 6
Mid Mid (pH 6-8) -1.96 7.77 -71.3 3 6 1 85 394.442 5

Activity (Go SEA)

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