UCSF

ZINC20294551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 0.24 1.48 -118.99 7 6 2 104 292.383 6
Hi High (pH 8-9.5) 0.24 -0.8 -76.33 6 6 1 103 291.375 6

Activity (Go SEA)

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