UCSF

ZINC38002459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 4.89 8.05 -41.53 2 3 1 35 371.32 6
Hi High (pH 8-9.5) 4.89 6.82 -3.98 1 3 0 30 370.312 6

Activity (Go SEA)

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