UCSF

ZINC49222210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 19 No

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 9.87 -10.14 1 3 0 38 296.461 6
Mid Mid (pH 6-8) 4.57 8.69 -41.38 0 3 -1 41 295.453 6

Activity (Go SEA)

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