UCSF

ZINC30582345

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 25 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 3.23 -25.8 3 7 0 104 357.391 5
Hi High (pH 8-9.5) 1.87 2.31 -56.58 2 7 -1 110 356.383 5

Activity (Go SEA)

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