UCSF

ZINC11732614

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.02 0.98 -51.98 0 3 -1 53 274.727 4
Lo Low (pH 4.5-6) 3.02 1.09 -44.96 1 3 0 54 275.735 4

Activity (Go SEA)

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