UCSF

ZINC36455533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 8 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) 0.23 -0.39 -37.12 3 2 1 29 113.184 0
Lo Low (pH 4.5-6) 0.23 0.98 -103.7 4 2 2 33 114.192 0
Lo Low (pH 4.5-6) 0.23 -0.47 -35.01 3 2 1 29 113.184 0

Activity (Go SEA)

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