UCSF

ZINC45061891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 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) 1.04 1.47 -12.01 1 4 0 56 223.198 6
Lo Low (pH 4.5-6) 1.04 3.55 -49.91 2 4 1 57 224.206 6

Activity (Go SEA)

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