UCSF

ZINC16965921

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 2.24 4.84 -18.11 1 7 0 92 388.902 5
Hi High (pH 8-9.5) 2.30 3.85 -54.44 0 7 -1 99 387.894 5

Activity (Go SEA)

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