UCSF

ZINC53129870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 2.61 4.01 -7.5 2 5 0 78 331.173 3
Lo Low (pH 4.5-6) 2.61 4.47 -36.66 3 5 1 79 332.181 3

Activity (Go SEA)

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