UCSF

ZINC01956750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 35 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) 6.76 15.34 -13.91 1 5 0 65 489.568 9
Hi High (pH 8-9.5) 6.95 13.46 -44.71 0 5 -1 71 488.56 9

Activity (Go SEA)

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