UCSF

ZINC40403365

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 25 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) 0.62 1.6 -49.32 3 8 -1 139 344.299 3
Hi High (pH 8-9.5) 0.62 2.49 -105.5 2 8 -2 142 343.291 3
Lo Low (pH 4.5-6) 0.03 1.91 -18.56 3 8 0 133 345.307 3
Lo Low (pH 4.5-6) 0.62 1.33 -49.99 3 8 -1 139 344.299 2

Activity (Go SEA)

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