UCSF

ZINC21984216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 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) -1.95 2.09 -50.57 3 4 0 81 180.207 4
Lo Low (pH 4.5-6) -1.95 2.54 -87.05 4 4 1 82 181.215 4

Activity (Go SEA)

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