UCSF

ZINC44678655

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 1.85 6.79 -82.23 3 3 2 24 253.434 2
Hi High (pH 8-9.5) 1.85 4.51 -32.39 2 3 1 23 252.426 2
Lo Low (pH 4.5-6) 1.85 8.54 -197.09 4 3 3 25 254.442 2

Activity (Go SEA)

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