UCSF

ZINC34680577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 3.45 10.55 -15.9 1 6 0 66 438.89 4
Lo Low (pH 4.5-6) 3.45 10.9 -46.15 2 6 1 67 439.898 4

Activity (Go SEA)

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