UCSF

ZINC42945329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 2.23 6.03 -127.46 4 3 2 35 297.874 4
Hi High (pH 8-9.5) 2.23 6.05 -91.8 4 3 2 35 297.874 4
Mid Mid (pH 6-8) 2.23 3.43 -44.65 3 3 1 34 296.866 4

Activity (Go SEA)

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