UCSF

ZINC39752549

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 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) 1.02 6.07 -22.55 3 11 0 144 517.637 11
Hi High (pH 8-9.5) 1.21 4.53 -53 2 11 -1 150 516.629 11

Activity (Go SEA)

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