UCSF

ZINC43979327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.98 6.29 -34.3 2 3 1 29 291.459 5
Hi High (pH 8-9.5) 3.98 5.23 -1.77 1 3 0 24 290.451 5
Mid Mid (pH 6-8) 3.98 8.06 -115.34 3 3 2 30 292.467 5
Mid Mid (pH 6-8) 3.98 7.1 -30.79 2 3 1 26 291.459 5

Activity (Go SEA)

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