UCSF

ZINC05355985

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 37 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) 3.89 11.79 -41.05 0 9 -1 118 521.571 9
Mid Mid (pH 6-8) 4.34 0.61 -31.78 1 9 0 115 522.579 8
Mid Mid (pH 6-8) 3.31 0.84 -21.77 0 9 0 112 522.579 9

Activity (Go SEA)

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