UCSF

ZINC37110349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.31 5.93 -85.83 5 3 2 56 221.348 5
Hi High (pH 8-9.5) 1.31 6.12 -33.28 4 3 1 54 220.34 5

Activity (Go SEA)

Rings

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