UCSF

ZINC33795148

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 32 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) 3.91 15.35 -52.73 1 5 1 45 460.639 10
Hi High (pH 8-9.5) 3.91 13.06 -13.48 0 5 0 44 459.631 10

Activity (Go SEA)

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