UCSF

ZINC39557577

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 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) 5.56 9.52 -11.4 2 5 0 70 366.424 2
Mid Mid (pH 6-8) 5.56 9.9 -26.18 3 5 1 71 367.432 2

Activity (Go SEA)

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