UCSF

ZINC39227388

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 33 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) 4.13 13.65 -45.11 1 5 1 51 445.583 3
Hi High (pH 8-9.5) 4.13 11.26 -11.33 0 5 0 50 444.575 3

Activity (Go SEA)

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