UCSF

ZINC42460278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.77 2.08 -36.32 2 3 1 29 187.307 6
Hi High (pH 8-9.5) 0.77 3.06 -31.91 2 3 1 26 187.307 6

Activity (Go SEA)

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