UCSF

ZINC17124129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 34 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) 2.62 8.76 -60.25 0 9 -1 122 478.506 7
Mid Mid (pH 6-8) 2.04 9.03 -15.77 0 9 0 116 479.514 7
Mid Mid (pH 6-8) 2.62 8.66 -15.3 1 9 0 119 479.514 7
Lo Low (pH 4.5-6) 2.62 8.94 -45.75 2 9 1 120 480.522 7
Lo Low (pH 4.5-6) 2.04 9.31 -52.11 1 9 1 117 480.522 7

Activity (Go SEA)

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