UCSF

ZINC34990996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 0.94 8.87 -59.42 2 4 1 47 265.34 5
Hi High (pH 8-9.5) 0.94 7.51 -9.62 1 4 0 43 264.332 5
Mid Mid (pH 6-8) 0.94 9.38 -97.43 3 4 2 49 266.348 5

Activity (Go SEA)

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