UCSF

ZINC41202736

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 5.07 11.07 -39.15 2 1 1 17 274.453 7
Hi High (pH 8-9.5) 5.07 9.88 -3.7 1 1 0 12 273.445 7

Activity (Go SEA)

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