UCSF

ZINC13722209

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 4.26 9.3 -14.68 0 5 0 56 404.853 3
Mid Mid (pH 6-8) 4.26 10.04 -41.8 1 5 1 57 405.861 3
Lo Low (pH 4.5-6) 4.26 12.47 -119.4 2 5 2 58 406.869 3

Activity (Go SEA)

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