UCSF

ZINC37981746

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 1.80 6.65 -9.98 1 4 0 47 243.31 4
Lo Low (pH 4.5-6) 1.80 7.12 -28.26 2 4 1 48 244.318 4

Activity (Go SEA)

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