UCSF

ZINC41195392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 4.12 9.4 -32.81 2 2 1 29 299.463 4
Mid Mid (pH 6-8) 4.12 8.33 -6.02 1 2 0 25 298.455 4
Lo Low (pH 4.5-6) 4.12 9.95 -92.83 3 2 2 31 300.471 4

Activity (Go SEA)

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