UCSF

ZINC31944362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 2.02 7.04 -12.16 0 5 0 72 296.355 2
Lo Low (pH 4.5-6) 2.02 7.48 -55.02 1 5 1 73 297.363 2

Activity (Go SEA)

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