UCSF

ZINC31919349

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) -0.65 1.19 -12.1 3 5 0 76 304.268 4
Lo Low (pH 4.5-6) -0.65 1.49 -64.18 4 5 1 77 305.276 4

Activity (Go SEA)

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