UCSF

ZINC37989269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.40 5.07 -52.03 3 4 1 55 286.277 6
Hi High (pH 8-9.5) 2.40 3.7 -7.12 2 4 0 50 285.269 6
Hi High (pH 8-9.5) 2.40 3.74 -7.13 2 4 0 50 285.269 6
Mid Mid (pH 6-8) 2.40 5.11 -51.23 3 4 1 55 286.277 6

Activity (Go SEA)

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