UCSF

ZINC20729194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 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) 2.19 8.85 -23.09 2 10 0 123 447.499 6
Ref Reference (pH 7) 2.01 11.6 -22.02 2 10 0 120 447.499 6
Hi High (pH 8-9.5) 2.19 8.35 -55.14 1 10 -1 122 446.491 6
Hi High (pH 8-9.5) 2.01 11.1 -50.22 1 10 -1 118 446.491 6
Mid Mid (pH 6-8) 2.19 8.83 -21.98 2 10 0 123 447.499 6
Mid Mid (pH 6-8) 2.01 11.57 -21.91 2 10 0 120 447.499 6

Activity (Go SEA)

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