UCSF

ZINC31082565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 24 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) 3.14 7.02 -17.01 1 5 0 60 322.364 4
Lo Low (pH 4.5-6) 3.14 7.42 -47.18 2 5 1 62 323.372 4

Activity (Go SEA)

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