UCSF

ZINC21013313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 15 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) 1.33 0.95 -51.43 1 5 -1 86 248.305 5
Hi High (pH 8-9.5) 1.33 0.53 -98.49 0 5 -2 88 247.297 5

Activity (Go SEA)

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