UCSF

ZINC37202056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.73 7.65 -42.68 2 2 1 20 299.891 6
Hi High (pH 8-9.5) 2.73 6.79 -2.36 1 2 0 15 298.883 6
Mid Mid (pH 6-8) 2.73 8.96 -37.2 2 2 1 16 299.891 6
Lo Low (pH 4.5-6) 2.73 9.79 -124.02 3 2 2 21 300.899 6

Activity (Go SEA)

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