UCSF

ZINC06938547

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) 0.64 2.37 -14.25 2 7 0 103 337.401 2
Hi High (pH 8-9.5) 1.54 0.24 -52.47 1 7 -1 106 336.393 2

Activity (Go SEA)

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