UCSF

ZINC25516776

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 4.21 10.77 -11.34 1 5 0 68 406.536 4
Hi High (pH 8-9.5) 4.27 9.68 -45.2 0 5 -1 74 405.528 4

Activity (Go SEA)

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