UCSF

ZINC37051597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 3.23 6.73 -7.46 1 3 0 30 261.756 2
Lo Low (pH 4.5-6) 3.23 7.15 -32.78 2 3 1 31 262.764 2

Activity (Go SEA)

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