UCSF

ZINC08739933

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 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) 4.25 10.31 -65.55 0 7 -1 96 458.277 5
Mid Mid (pH 6-8) 3.66 1.56 -14.78 0 7 0 89 459.285 5
Lo Low (pH 4.5-6) 4.25 9.49 -22.66 1 7 0 93 459.285 5

Activity (Go SEA)

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