UCSF

ZINC39750828

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 31 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) 2.17 9.11 -21.9 2 9 0 115 459.601 9
Hi High (pH 8-9.5) 2.35 7.91 -51.87 1 9 -1 121 458.593 9

Activity (Go SEA)

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