UCSF

ZINC38292442

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 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) 2.62 5.12 -2.53 2 1 0 26 147.221 2
Lo Low (pH 4.5-6) 2.62 4.98 -40.84 3 1 1 28 148.229 2

Activity (Go SEA)

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