UCSF

ZINC12537203

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 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) 2.86 7.91 -15.46 1 4 0 55 316.36 4
Lo Low (pH 4.5-6) 2.86 8.18 -45.78 2 4 1 56 317.368 4

Activity (Go SEA)

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