UCSF

ZINC39123723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 0.57 5.22 -132.06 0 6 -2 102 223.184 4
Lo Low (pH 4.5-6) 0.57 5.63 -104.35 1 6 -1 104 224.192 4

Activity (Go SEA)

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