UCSF

ZINC12488468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 4.26 10.09 -13.47 0 4 0 46 344.201 3
Lo Low (pH 4.5-6) 4.26 10.42 -42.19 1 4 1 47 345.209 3
Lo Low (pH 4.5-6) 4.26 10.19 -87.23 2 4 2 49 346.217 3

Activity (Go SEA)

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