UCSF

ZINC35207422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.52 4.75 -11.29 0 4 0 50 280.324 4
Lo Low (pH 4.5-6) 1.52 5.21 -39.83 1 4 1 52 281.332 4

Activity (Go SEA)

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