UCSF

ZINC18272414

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 26 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) 5.59 8.45 -9.22 1 4 0 54 378.375 4
Ref Reference (pH 7) 5.59 8.03 -8.85 1 4 0 54 378.375 4
Mid Mid (pH 6-8) 5.10 7.98 -39.73 0 4 -1 53 377.367 5
Lo Low (pH 4.5-6) 5.10 8.41 -14.68 1 4 0 51 378.375 5

Activity (Go SEA)

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