UCSF

ZINC39750543

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 1.53 6.47 -25.95 3 10 0 135 489.627 10
Hi High (pH 8-9.5) 1.71 4.92 -60.12 2 10 -1 141 488.619 10

Activity (Go SEA)

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