UCSF

ZINC35148559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 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) -0.18 2.89 -58.39 2 6 -1 98 257.31 7
Lo Low (pH 4.5-6) -0.18 1.1 -15.32 3 6 0 95 258.318 7

Activity (Go SEA)

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