UCSF

ZINC20524080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 0.85 6.97 -46.23 2 4 1 38 249.382 5
Mid Mid (pH 6-8) 0.85 7.45 -94.96 3 4 2 39 250.39 5
Mid Mid (pH 6-8) 0.85 9.07 -111.21 3 4 2 39 250.39 5
Mid Mid (pH 6-8) 0.85 9.7 -73.71 3 4 2 36 250.39 5
Lo Low (pH 4.5-6) 0.85 9.85 -170.68 4 4 3 40 251.398 5

Activity (Go SEA)

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