UCSF

ZINC53133058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 No

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) 1.76 4.62 -10.29 0 4 0 52 237.69 5
Lo Low (pH 4.5-6) 1.76 5.08 -37.73 1 4 1 53 238.698 5

Activity (Go SEA)

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