UCSF

ZINC37239788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 0.02 4.05 -39.63 1 3 1 31 170.232 2
Hi High (pH 8-9.5) 0.02 1.48 -5.76 0 3 0 30 169.224 2

Activity (Go SEA)

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