UCSF

ZINC33953801

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 31 No

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) 4.70 16.19 -53.88 1 5 1 36 500.541 8
Hi High (pH 8-9.5) 4.70 13.93 -12.28 0 5 0 35 499.533 8

Activity (Go SEA)

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