UCSF

ZINC43608466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 3.47 11.79 -44.3 1 4 1 38 390.532 3
Lo Low (pH 4.5-6) 3.47 12.25 -84.05 2 4 2 39 391.54 3

Activity (Go SEA)

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