UCSF

ZINC12554070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 23 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) 2.71 7.87 -11.9 2 6 0 102 330.413 4
Lo Low (pH 4.5-6) 2.71 8.18 -29.76 3 6 1 103 331.421 4
Lo Low (pH 4.5-6) 2.71 4.7 -29.44 3 6 1 103 331.421 4

Activity (Go SEA)

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