UCSF

ZINC41018129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 1.96 6.76 -51.54 1 6 -1 95 308.364 5
Hi High (pH 8-9.5) 2.03 5.1 -101.43 0 6 -2 101 307.356 5

Activity (Go SEA)

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