UCSF

ZINC00699474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 1.60 7.94 -24.8 1 10 0 110 514.604 8
Hi High (pH 8-9.5) 1.42 6.86 -53.02 0 10 -1 117 513.596 8

Activity (Go SEA)

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