UCSF

ZINC39755608

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 3.53 10.24 -21.68 1 8 0 95 446.602 9
Hi High (pH 8-9.5) 3.72 9.02 -55.18 0 8 -1 101 445.594 9

Activity (Go SEA)

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