UCSF

ZINC36996271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.47 5.21 -36.88 3 3 1 40 275.416 3
Lo Low (pH 4.5-6) 3.47 7.48 -111.98 4 3 2 41 276.424 3

Activity (Go SEA)

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