UCSF

ZINC45663811

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.90 4.62 -107.45 4 3 2 35 271.371 9
Hi High (pH 8-9.5) 1.91 2.15 -44.43 3 3 1 34 270.363 9

Activity (Go SEA)

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