UCSF

ZINC39271379

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 24 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) 3.56 10.51 -10.65 0 4 0 48 317.344 4
Lo Low (pH 4.5-6) 3.56 10.97 -43.27 1 4 1 50 318.352 4

Activity (Go SEA)

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