UCSF

ZINC00641098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 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) 5.64 14.56 -154.83 0 6 -2 107 434.403 2
Mid Mid (pH 6-8) 5.64 14.09 -62.34 1 6 -1 104 435.411 2
Lo Low (pH 4.5-6) 5.64 13.61 -14.84 2 6 0 101 436.419 2

Activity (Go SEA)

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