UCSF

ZINC02614013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 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) 5.46 11.44 -12.03 1 5 0 58 499.459 6
Lo Low (pH 4.5-6) 5.46 12.18 -80.43 2 5 0 59 500.467 6

Activity (Go SEA)

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