UCSF

ZINC43247812

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.85 5.98 -108.74 4 4 2 52 285.457 6
Hi High (pH 8-9.5) 0.85 3.56 -6.98 2 4 0 50 283.441 6
Mid Mid (pH 6-8) 0.85 5.57 -32.29 3 4 1 51 284.449 6
Mid Mid (pH 6-8) 0.85 3.91 -35.88 3 4 1 51 284.449 6

Activity (Go SEA)

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