UCSF

ZINC34874745

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 16 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) 3.81 10.38 -34.51 1 1 1 4 216.348 8
Hi High (pH 8-9.5) 3.81 8.34 -1.68 0 1 0 3 215.34 8

Activity (Go SEA)

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