UCSF

ZINC13819922

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 20 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) 2.65 6.86 -5.86 1 4 0 49 302.484 8
Hi High (pH 8-9.5) 2.65 7.4 -46.36 1 4 -1 49 301.476 8

Activity (Go SEA)

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