UCSF

ZINC39799942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 22 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 0.23 -113.92 8 8 1 154 317.41 10
Hi High (pH 8-9.5) -3.53 -0.07 -77.22 7 8 0 152 316.402 10

Activity (Go SEA)

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