UCSF

ZINC20216912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.72 1.31 -38.37 4 3 1 57 196.27 4
Hi High (pH 8-9.5) 0.72 1.05 -6.18 3 3 0 55 195.262 4

Activity (Go SEA)

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