UCSF

ZINC11821393

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 28 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) 3.18 0.5 -38.06 2 5 1 51 372.496 5
Lo Low (pH 4.5-6) 3.18 0.7 -112.25 3 5 2 52 373.504 5

Activity (Go SEA)

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