UCSF

ZINC21918605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 24 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) 3.68 9.36 -39.91 2 4 1 43 327.448 9
Hi High (pH 8-9.5) 3.68 7.29 -9.19 1 4 0 42 326.44 9

Activity (Go SEA)

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