UCSF

ZINC53131978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.99 9.66 -48.19 2 2 1 29 289.83 7
Lo Low (pH 4.5-6) 3.99 10.13 -104.56 3 2 2 31 290.838 7

Activity (Go SEA)

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