UCSF

ZINC54417070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 16 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) 1.48 2.79 -44.39 4 3 1 47 283.193 4
Lo Low (pH 4.5-6) 1.48 5.12 -119.27 5 3 2 48 284.201 4

Activity (Go SEA)

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