UCSF

ZINC39750795

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 28 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) 3.50 11.14 -21.54 1 7 0 86 477.413 8
Hi High (pH 8-9.5) 3.68 9.94 -55.23 0 7 -1 92 476.405 8

Activity (Go SEA)

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