UCSF

ZINC20130840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 4.32 8.39 -41.27 3 2 1 37 268.38 5
Hi High (pH 8-9.5) 4.32 9.01 -27.3 2 2 0 40 267.372 5

Activity (Go SEA)

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