UCSF

ZINC31993934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 4.04 9.28 -65.13 1 4 0 54 297.782 5
Hi High (pH 8-9.5) 4.04 6.97 -55.14 0 4 -1 53 296.774 5

Activity (Go SEA)

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