UCSF

ZINC34853534

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 0.93 10.72 -46.25 1 7 1 67 435.548 5
Hi High (pH 8-9.5) 0.93 8.57 -12.61 0 7 0 66 434.54 5

Activity (Go SEA)

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