UCSF

ZINC33506528

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 1.93 10.65 -24.29 0 5 0 61 322.364 5
Lo Low (pH 4.5-6) 1.93 11.08 -64.56 1 5 1 62 323.372 5

Activity (Go SEA)

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