UCSF

ZINC41200891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 Yes

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) 5.08 10.19 -32.35 2 2 1 29 293.5 8
Hi High (pH 8-9.5) 5.08 8.57 -5.36 1 2 0 25 292.492 8
Lo Low (pH 4.5-6) 5.08 9.97 -92.26 3 2 2 31 294.508 8

Activity (Go SEA)

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