UCSF

ZINC34837204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 No

Download: MOL2 SDF SMILES Flexibase

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) 6.60 7.94 -7.61 2 5 0 75 512.223 4
Hi High (pH 8-9.5) 7.05 7.06 -92.33 0 5 -2 81 510.207 4
Hi High (pH 8-9.5) 7.05 6.4 -92.55 0 5 -2 81 510.207 4
Mid Mid (pH 6-8) 6.60 8.43 -37.58 1 5 -1 78 511.215 4
Mid Mid (pH 6-8) 6.60 8.85 -37.79 1 5 -1 78 511.215 4

Activity (Go SEA)

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