UCSF

ZINC40407528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 17 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) 3.82 9.22 -7.18 0 2 0 18 248.757 3
Lo Low (pH 4.5-6) 3.82 9.58 -24.18 1 2 1 19 249.765 3

Activity (Go SEA)

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