UCSF

ZINC06125311

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 22 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) 1.76 6.93 -16.5 1 5 0 60 300.358 7
Lo Low (pH 4.5-6) 1.76 7.39 -49.69 2 5 1 62 301.366 7

Activity (Go SEA)

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