UCSF

ZINC61635859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 15 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) 0.40 4.08 -46.61 2 5 1 51 211.289 5
Hi High (pH 8-9.5) 0.40 1.62 -12.3 1 5 0 50 210.281 5

Activity (Go SEA)

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