UCSF

ZINC25516793

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 4.24 11.55 -10.89 1 5 0 68 440.619 4
Hi High (pH 8-9.5) 4.31 10.45 -43.39 0 5 -1 74 439.611 4

Activity (Go SEA)

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