UCSF

ZINC34656509

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.65 8.01 -82.48 3 4 2 40 302.846 8
Hi High (pH 8-9.5) 2.65 5.55 -45.04 2 4 1 38 301.838 8

Activity (Go SEA)

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