UCSF

ZINC34654603

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 2.89 8.25 -87.36 4 3 2 35 265.445 9
Hi High (pH 8-9.5) 2.89 6.13 -41.6 3 3 1 34 264.437 9

Activity (Go SEA)

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