UCSF

ZINC20495662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 12 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) 0.70 5.57 -39.42 1 3 1 25 171.264 1
Hi High (pH 8-9.5) 0.70 3.5 -7.31 0 3 0 24 170.256 1

Activity (Go SEA)

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