UCSF

ZINC38151506

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 26 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) 3.48 6.16 -11.9 3 5 0 81 364.405 3
Lo Low (pH 4.5-6) 3.48 6.51 -37.52 4 5 1 82 365.413 3

Activity (Go SEA)

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