UCSF

ZINC38577018

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 14 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) -0.43 1.04 -6.66 3 6 0 89 190.21 2
Lo Low (pH 4.5-6) -0.43 2.09 -33.86 4 6 1 90 191.218 2

Activity (Go SEA)

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