UCSF

ZINC09920185

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.98 8.86 -13.2 1 6 0 62 381.476 9
Lo Low (pH 4.5-6) 2.98 8.94 -28.15 2 6 0 63 382.484 9

Activity (Go SEA)

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