UCSF

ZINC33889742

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 3.09 4.98 -45.92 3 4 1 59 308.471 3
Hi High (pH 8-9.5) 3.09 3.74 -7.38 2 4 0 54 307.463 3

Activity (Go SEA)

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