UCSF

ZINC01666077

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 0.55 2.79 -9.48 3 6 0 90 219.248 1
Lo Low (pH 4.5-6) 0.55 3.05 -32.19 4 6 1 91 220.256 1
Lo Low (pH 4.5-6) 0.55 -1.34 -30.37 4 6 1 91 220.256 1

Activity (Go SEA)

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