UCSF

ZINC19849996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 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) 3.18 7.4 -12.07 2 6 0 87 343.437 3
Hi High (pH 8-9.5) 3.18 7.2 -50.19 1 6 -1 85 342.429 3
Hi High (pH 8-9.5) 2.44 6.97 -49.98 1 6 -1 90 342.429 4
Mid Mid (pH 6-8) 2.25 8.38 -21.88 2 6 0 84 343.437 4

Activity (Go SEA)

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