UCSF

ZINC49423711

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) -0.93 0.46 -11.89 3 6 0 98 270.292 4
Lo Low (pH 4.5-6) -0.93 0.84 -41.91 4 6 1 99 271.3 4

Activity (Go SEA)

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