UCSF

ZINC44133007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 2.07 5.37 -34.55 2 3 1 28 275.416 2
Hi High (pH 8-9.5) 2.07 5.64 -35.11 2 3 1 28 275.416 2
Lo Low (pH 4.5-6) 2.07 7.8 -100.32 3 3 2 29 276.424 2

Activity (Go SEA)

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