UCSF

ZINC37989280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.40 6.95 -50.94 3 5 1 63 282.371 6
Hi High (pH 8-9.5) 1.40 5.58 -10.22 2 5 0 59 281.363 6
Hi High (pH 8-9.5) 1.40 5.61 -9.65 2 5 0 59 281.363 6
Mid Mid (pH 6-8) 1.40 6.98 -49.41 3 5 1 63 282.371 6

Activity (Go SEA)

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