UCSF

ZINC06089719

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 35 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) 2.69 7.84 -49.07 1 8 -1 112 473.505 8
Mid Mid (pH 6-8) 2.69 -1.22 -15.56 2 8 0 109 474.513 8
Lo Low (pH 4.5-6) 2.10 -1.16 -16.57 1 8 0 106 474.513 8
Lo Low (pH 4.5-6) 2.69 -1.11 -44.04 3 8 1 110 475.521 8

Activity (Go SEA)

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