UCSF

ZINC67637606

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.00 7.52 -10.67 1 3 0 46 321.199 1
Hi High (pH 8-9.5) 4.46 6.21 -48.18 0 3 -1 49 320.191 1

Activity (Go SEA)

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