UCSF

ZINC42912829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 2.71 7.64 -125.07 4 2 2 32 252.377 3
Hi High (pH 8-9.5) 2.71 7.34 -35.82 3 2 1 30 251.369 3
Hi High (pH 8-9.5) 2.71 6.36 -42.87 3 2 1 31 251.369 3

Activity (Go SEA)

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