UCSF

ZINC44683998

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 1.04 0.97 -46.69 4 4 1 60 249.334 4
Lo Low (pH 4.5-6) 1.04 3.31 -118.03 5 4 2 61 250.342 4
Lo Low (pH 4.5-6) 1.04 2.14 -36.5 4 4 1 57 249.334 4

Activity (Go SEA)

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