UCSF

ZINC44132967

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) 1.58 3.91 -34.85 2 4 1 37 279.404 5
Hi High (pH 8-9.5) 1.58 4.24 -35.62 2 4 1 37 279.404 5
Lo Low (pH 4.5-6) 1.58 6.51 -97.74 3 4 2 38 280.412 5

Activity (Go SEA)

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