UCSF

ZINC34896520

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 23 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) 2.93 7.54 -40.02 3 6 1 72 324.445 6
Hi High (pH 8-9.5) 2.93 5.56 -6.9 2 6 0 71 323.437 6

Activity (Go SEA)

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