UCSF

ZINC43907820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.71 8.37 -29.08 2 3 1 20 280.48 4
Mid Mid (pH 6-8) 2.71 10.56 -94.66 3 3 2 21 281.488 4
Mid Mid (pH 6-8) 2.71 8.93 -85.34 3 3 2 24 281.488 4
Lo Low (pH 4.5-6) 2.71 10.56 -200.89 4 3 3 25 282.496 4

Activity (Go SEA)

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