UCSF

ZINC75559965

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2012 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.55 7.03 -45.7 0 2 -1 40 169.244 5
Lo Low (pH 4.5-6) 2.55 5.15 -4.6 1 2 0 37 170.252 5

Activity (Go SEA)

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