UCSF

ZINC12469452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 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) 4.03 10.06 -11.08 3 6 0 78 390.274 3
Lo Low (pH 4.5-6) 4.03 10.56 -29.39 4 6 1 79 391.282 3

Activity (Go SEA)

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