UCSF

ZINC37666794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 36 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) 7.99 16.3 -27.02 2 6 1 66 486.636 9
Mid Mid (pH 6-8) 7.99 16.92 -20.03 1 6 0 65 485.628 9
Mid Mid (pH 6-8) 7.99 16.84 -39.11 2 6 1 69 486.636 9
Lo Low (pH 4.5-6) 7.99 16.75 -83.68 3 6 2 71 487.644 9

Activity (Go SEA)

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