UCSF

ZINC20049311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 21 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) 3.26 8.2 -100.07 4 4 2 50 299.503 10
Hi High (pH 8-9.5) 3.26 6.92 -39.19 3 4 1 46 298.495 10

Activity (Go SEA)

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