UCSF

ZINC19430946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 1.34 3.15 -41.88 0 5 -1 85 258.282 3
Lo Low (pH 4.5-6) 1.34 3.59 -44.14 1 5 0 86 259.29 3

Activity (Go SEA)

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