UCSF

ZINC43353651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 1.83 6.56 -33.59 3 3 1 43 282.411 4
Hi High (pH 8-9.5) 1.83 4.59 -2.53 2 3 0 42 281.403 4
Mid Mid (pH 6-8) 1.83 4.83 -49.02 3 3 1 44 282.411 4
Lo Low (pH 4.5-6) 1.83 6.72 -129.94 4 3 2 45 283.419 4

Activity (Go SEA)

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