UCSF

ZINC66313582

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.58 6.8 -8.64 0 5 0 36 331.46 4
Lo Low (pH 4.5-6) 2.58 8.95 -43.12 1 5 1 37 332.468 4

Activity (Go SEA)

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