UCSF

ZINC21514573

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 17 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) 2.78 5.92 -44.03 2 4 1 42 257.789 6
Hi High (pH 8-9.5) 2.78 3.85 -5.93 1 4 0 41 256.781 6

Activity (Go SEA)

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