UCSF

ZINC41685053

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.84 5.74 -45.33 1 4 1 42 356.331 7
Hi High (pH 8-9.5) 2.84 3.27 -11.27 0 4 0 41 355.323 7

Activity (Go SEA)

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