UCSF

ZINC49238306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 2.31 5.59 -43.7 2 5 1 52 346.245 7
Hi High (pH 8-9.5) 2.31 3.42 -13.11 1 5 0 51 345.237 7

Activity (Go SEA)

Rings

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