UCSF

ZINC13127452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 3.06 10.13 -13.11 3 5 0 69 327.338 2
Lo Low (pH 4.5-6) 3.06 10.64 -37.8 4 5 1 70 328.346 2

Activity (Go SEA)

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