UCSF

ZINC39348856

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 11 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) 1.70 3.64 -4.92 0 2 0 27 152.241 1
Lo Low (pH 4.5-6) 1.70 5.74 -36.13 1 2 1 28 153.249 1

Activity (Go SEA)

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