UCSF

ZINC34670678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.49 8.68 -10.53 0 6 0 51 444.547 9
Lo Low (pH 4.5-6) 3.49 10.68 -41.2 1 6 1 52 445.555 9

Activity (Go SEA)

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