UCSF

ZINC19117644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 28 No

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) 7.04 12.9 -5.45 0 2 0 20 455.212 4
Lo Low (pH 4.5-6) 7.04 15.14 -48.24 1 2 1 22 456.22 4

Activity (Go SEA)

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