UCSF

ZINC49283881

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 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) 1.08 0.91 -50.38 4 4 1 60 230.376 8
Lo Low (pH 4.5-6) 1.08 2.89 -116.26 5 4 2 61 231.384 8

Activity (Go SEA)

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