UCSF

ZINC04282457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 31 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 5.68 -18.39 4 8 0 120 436.855 6
Hi High (pH 8-9.5) 3.65 6.45 -65 3 8 -1 123 435.847 6
Lo Low (pH 4.5-6) 3.65 5.96 -39.63 5 8 1 121 437.863 6

Activity (Go SEA)

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