UCSF

ZINC33825731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 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) 4.41 10.29 -38.52 1 3 1 17 375.945 2
Hi High (pH 8-9.5) 4.41 7.94 -4.04 0 3 0 16 374.937 2

Activity (Go SEA)

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