UCSF

ZINC39051509

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 1.15 3.1 -5.19 1 2 0 33 149.193 1
Lo Low (pH 4.5-6) 1.15 2.66 -31.46 2 2 1 34 150.201 1

Activity (Go SEA)

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