UCSF

ZINC09517045

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 32 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 -4.43 -22.25 3 8 0 113 453.52 7
Hi High (pH 8-9.5) 3.20 -3.87 -65.8 2 8 -1 115 452.512 7

Activity (Go SEA)

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