UCSF

ZINC39371151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.29 15.57 -92.71 2 4 2 27 471.428 8
Hi High (pH 8-9.5) 5.29 10.33 -10.95 0 4 0 25 469.412 8
Mid Mid (pH 6-8) 5.29 12.95 -43.42 1 4 1 26 470.42 8

Activity (Go SEA)

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