UCSF

ZINC49401013

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.79 4.61 -37 3 5 1 63 264.349 6
Hi High (pH 8-9.5) 1.79 2.4 -9.36 2 5 0 61 263.341 6

Activity (Go SEA)

Rings

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