UCSF

ZINC43969609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.39 7.59 -103.49 3 3 2 30 264.413 8
Hi High (pH 8-9.5) 2.39 7.35 -32.82 2 3 1 29 263.405 8
Hi High (pH 8-9.5) 2.39 2.97 -3.01 1 3 0 24 262.397 8
Mid Mid (pH 6-8) 2.39 4.99 -28.48 2 3 1 26 263.405 8

Activity (Go SEA)

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