UCSF

ZINC24855863

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 26 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) 3.46 10.78 -53.53 2 5 1 60 353.442 6
Hi High (pH 8-9.5) 3.46 8.55 -13.89 1 5 0 59 352.434 6

Activity (Go SEA)

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