UCSF

ZINC09056646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 20 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) 1.34 -0.09 -17.92 5 7 0 129 293.304 4
Hi High (pH 8-9.5) 1.34 0.92 -53.76 4 7 -1 132 292.296 4
Hi High (pH 8-9.5) 1.34 0.69 -47.5 4 7 -1 132 292.296 4

Activity (Go SEA)

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