UCSF

ZINC25650163

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 3.26 8.84 -10.58 1 4 0 55 323.421 3
Hi High (pH 8-9.5) 3.33 7.68 -51.49 0 4 -1 61 322.413 3

Activity (Go SEA)

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