UCSF

ZINC09423581

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 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) 3.54 1.58 -61.69 1 6 1 66 415.469 4
Lo Low (pH 4.5-6) 3.54 1.69 -125.32 2 6 2 67 416.477 4

Activity (Go SEA)

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