UCSF

ZINC53133045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 1.65 3.75 -8.14 0 4 0 52 223.663 3
Lo Low (pH 4.5-6) 1.65 4.21 -37.71 1 4 1 53 224.671 3

Activity (Go SEA)

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