UCSF

ZINC34029600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 24 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) 2.34 5.29 -54.5 3 5 1 66 346.476 5
Hi High (pH 8-9.5) 2.34 4 -11.15 2 5 0 61 345.468 5

Activity (Go SEA)

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