UCSF

ZINC20013048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 1.38 2.79 -43.13 4 5 1 77 302.395 5
Hi High (pH 8-9.5) 1.38 0.5 -11.01 3 5 0 75 301.387 5

Activity (Go SEA)

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