UCSF

ZINC37029458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 3.22 3.17 -12.7 2 5 0 71 379.663 5
Hi High (pH 8-9.5) 3.22 3.33 -38.75 1 5 -1 73 378.655 5

Activity (Go SEA)

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