UCSF

ZINC25254522

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 30 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) 3.85 7.75 -18.61 1 7 0 79 424.478 6
Hi High (pH 8-9.5) 3.92 6.86 -51.22 0 7 -1 85 423.47 6

Activity (Go SEA)

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