UCSF

ZINC36388753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 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) 4.06 8.91 -9.89 0 1 0 13 223.25 1
Lo Low (pH 4.5-6) 4.06 9.15 -27.05 1 1 1 14 224.258 1

Activity (Go SEA)

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