UCSF

ZINC20208675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 2.03 5.14 -56.8 3 6 1 68 423.48 10
Hi High (pH 8-9.5) 2.03 3.72 -11.48 2 6 0 63 422.472 10

Activity (Go SEA)

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