UCSF

ZINC46009377

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 32 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) 3.87 9.46 -56.13 2 8 -1 120 452.512 6
Mid Mid (pH 6-8) 4.33 6.79 -123.36 1 8 -2 123 451.504 6
Lo Low (pH 4.5-6) 3.87 8.7 -15.27 3 8 0 117 453.52 6

Activity (Go SEA)

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