UCSF

ZINC04742763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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 -4.1 -10.02 1 4 0 59 378.906 5
Hi High (pH 8-9.5) 4.90 -3.53 -40.76 0 4 -1 61 377.898 5

Activity (Go SEA)

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