UCSF

ZINC31829283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 15 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) 2.15 6.37 -49.38 0 3 -1 49 205.233 4
Lo Low (pH 4.5-6) 2.15 5.23 -8.62 1 3 0 47 206.241 4

Activity (Go SEA)

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