UCSF

ZINC48792689

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 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) 1.80 6.84 -8.88 2 6 0 74 311.798 5
Hi High (pH 8-9.5) 1.80 6.64 -39.18 1 6 -1 72 310.79 5

Activity (Go SEA)

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