UCSF

ZINC06694995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 27 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) 4.30 10.72 -9.37 1 5 0 53 375.557 8
Lo Low (pH 4.5-6) 4.30 10.82 -27.84 2 5 1 54 376.565 8

Activity (Go SEA)

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