UCSF

ZINC31975494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 3.71 7.33 -53.56 3 3 1 45 293.177 2
Hi High (pH 8-9.5) 3.71 6.95 -7.96 2 3 0 43 292.169 2

Activity (Go SEA)

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