UCSF

ZINC20130723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 2.62 6.43 -32.2 2 2 1 20 223.384 5
Lo Low (pH 4.5-6) 2.62 8.79 -99.19 3 2 2 21 224.392 5

Activity (Go SEA)

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