UCSF

ZINC41652163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 0.92 4.19 -8.94 2 5 0 68 269.304 3
Lo Low (pH 4.5-6) 0.92 4.55 -36.31 3 5 1 70 270.312 3

Activity (Go SEA)

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