UCSF

ZINC36669706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 2.41 3.68 -37.11 4 3 1 61 213.688 4
Hi High (pH 8-9.5) -0.50 3.85 -10.07 4 3 0 61 212.68 4

Activity (Go SEA)

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