UCSF

ZINC22150974

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 2.48 3.01 -9.84 4 4 0 75 246.241 2
Hi High (pH 8-9.5) 2.48 3.87 -56.99 3 4 -1 78 245.233 2

Activity (Go SEA)

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