UCSF

ZINC19670975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) 3.20 6.6 -48.01 3 2 1 37 266.723 4
Hi High (pH 8-9.5) 3.20 6.33 -3.76 2 2 0 35 265.715 4

Activity (Go SEA)

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