UCSF

ZINC25449773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 4.90 10.4 -18.27 1 4 0 55 337.448 5
Hi High (pH 8-9.5) 5.08 9.32 -46.47 0 4 -1 61 336.44 5

Activity (Go SEA)

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