UCSF

ZINC24828860

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 28 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) 4.77 12.55 -14.29 1 5 0 60 388.496 5
Hi High (pH 8-9.5) 4.83 11.64 -48.09 0 5 -1 66 387.488 5

Activity (Go SEA)

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