UCSF

ZINC39811829

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 19 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) -2.52 2.27 -66.95 4 7 0 117 271.317 5
Hi High (pH 8-9.5) -2.52 1.95 -53.52 3 7 -1 116 270.309 5

Activity (Go SEA)

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