UCSF

ZINC33800269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 8 No

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) 1.17 0.69 -4.35 1 2 0 23 115.176 0
Lo Low (pH 4.5-6) 1.17 2.02 -34.03 2 2 1 25 116.184 0

Activity (Go SEA)

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