UCSF

ZINC21265158

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 22 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) 2.60 8.61 -47.58 2 6 1 73 371.255 6
Hi High (pH 8-9.5) 2.60 6.4 -14.68 1 6 0 72 370.247 6

Activity (Go SEA)

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