UCSF

ZINC69232371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) -1.38 8.4 -80.6 3 6 1 79 293.391 7
Hi High (pH 8-9.5) -1.38 8.78 -46.8 2 6 0 78 292.383 7
Hi High (pH 8-9.5) -1.38 8.26 -42.02 2 6 0 74 292.383 7
Mid Mid (pH 6-8) -1.38 9.25 -53.2 3 6 1 79 293.391 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.