UCSF

ZINC12522476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 2.87 7.57 -15.03 1 3 0 42 244.269 2
Lo Low (pH 4.5-6) 2.87 7.34 -30.97 2 3 1 43 245.277 2

Activity (Go SEA)

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