UCSF

ZINC06938556

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 23 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) 0.55 2.42 -16.03 2 7 0 103 337.401 2
Hi High (pH 8-9.5) 1.45 0.29 -53.91 1 7 -1 106 336.393 2

Activity (Go SEA)

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