UCSF

ZINC19260559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) -1.19 1.55 -51.15 3 5 1 59 265.333 3
Hi High (pH 8-9.5) -1.19 1.28 -6.14 2 5 0 57 264.325 3

Activity (Go SEA)

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