UCSF

ZINC34669995

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.13 6.45 -49.01 3 5 1 62 317.8 3
Hi High (pH 8-9.5) 2.13 5.18 -11.68 2 5 0 57 316.792 3

Activity (Go SEA)

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