UCSF

ZINC34990821

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) 2.23 10.63 -52.98 2 3 1 34 264.352 5
Hi High (pH 8-9.5) 2.23 9.28 -7.45 1 3 0 30 263.344 5
Mid Mid (pH 6-8) 2.23 11.15 -90.96 3 3 2 36 265.36 5

Activity (Go SEA)

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