UCSF

ZINC13404029

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 22 No

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) 2.44 9.94 -46.62 1 4 1 42 301.41 2
Hi High (pH 8-9.5) 2.44 7.73 -9.81 0 4 0 41 300.402 2

Activity (Go SEA)

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