UCSF

ZINC19582789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 29 No

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) 2.37 10.5 -75.94 1 8 0 111 395.415 7
Hi High (pH 8-9.5) 2.37 7.96 -55.92 0 8 -1 109 394.407 7
Lo Low (pH 4.5-6) 2.37 9.67 -61.65 2 8 1 108 396.423 7

Activity (Go SEA)

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