UCSF

ZINC20120673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.46 2.82 -35.5 2 3 1 29 201.334 4
Lo Low (pH 4.5-6) 1.46 4.8 -109.86 3 3 2 30 202.342 4

Activity (Go SEA)

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