UCSF

ZINC19358596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 32 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) 3.65 11.57 -73.02 1 6 0 74 438.499 9
Hi High (pH 8-9.5) 3.65 9.02 -55.47 0 6 -1 73 437.491 9
Lo Low (pH 4.5-6) 3.65 10.75 -56.22 2 6 1 71 439.507 9

Activity (Go SEA)

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