UCSF

ZINC34685961

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) 1.78 8.15 -14.1 0 6 0 53 425.504 4
Lo Low (pH 4.5-6) 1.78 10.33 -51.9 1 6 1 54 426.512 4

Activity (Go SEA)

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