UCSF

ZINC20433847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 0.19 1.75 -45.55 3 4 1 57 253.347 1
Hi High (pH 8-9.5) 0.19 0.39 -9.85 2 4 0 53 252.339 1

Activity (Go SEA)

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