UCSF

ZINC24340142

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 19 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) 2.25 5.25 -10.13 1 5 0 58 258.325 5
Lo Low (pH 4.5-6) 2.25 5.69 -38.25 2 5 1 59 259.333 5

Activity (Go SEA)

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