UCSF

ZINC20780530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 3.39 10.36 -60.86 3 5 1 63 412.439 6
Hi High (pH 8-9.5) 3.39 8.95 -16.7 2 5 0 59 411.431 6

Activity (Go SEA)

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