UCSF

ZINC41201042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 3.48 9.26 -35.67 2 2 1 29 285.436 5
Mid Mid (pH 6-8) 3.48 8.33 -5.09 1 2 0 25 284.428 5
Lo Low (pH 4.5-6) 3.48 9.71 -98.84 3 2 2 31 286.444 5

Activity (Go SEA)

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