UCSF

ZINC12250916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 27 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) 5.31 -2.14 -11.43 3 4 0 68 373.481 3
Lo Low (pH 4.5-6) 5.31 -2.03 -34.87 4 4 1 69 374.489 3

Activity (Go SEA)

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