UCSF

ZINC17862946

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 21 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) 2.96 8.78 -7.97 1 4 0 54 317.801 3
Ref Reference (pH 7) 2.96 9.15 -9.13 1 4 0 54 317.801 3
Mid Mid (pH 6-8) 2.96 8.01 -40.01 0 4 -1 56 316.793 4
Lo Low (pH 4.5-6) 2.96 9.16 -31.46 2 4 1 56 318.809 3
Lo Low (pH 4.5-6) 3.14 8.85 -15.64 1 4 0 58 317.801 3

Activity (Go SEA)

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