UCSF

ZINC37260029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 2.94 6.13 -10.83 3 3 0 51 249.383 4
Lo Low (pH 4.5-6) 2.94 6.48 -42.85 4 3 1 52 250.391 4

Activity (Go SEA)

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