UCSF

ZINC37477245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 14 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) 1.37 3.04 -37.65 2 3 1 29 201.334 4
Lo Low (pH 4.5-6) 1.37 4.97 -112.45 3 3 2 30 202.342 4

Activity (Go SEA)

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