UCSF

ZINC43915212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.02 6.4 -106.99 3 3 2 30 238.375 7
Hi High (pH 8-9.5) 2.02 3.64 -3.52 1 3 0 24 236.359 7
Hi High (pH 8-9.5) 2.02 4.6 -30.96 2 3 1 29 237.367 7
Mid Mid (pH 6-8) 2.02 5.61 -32.59 2 3 1 26 237.367 7

Activity (Go SEA)

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