UCSF

ZINC07612554

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 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) 3.30 6.11 -42 2 4 1 51 299.46 8
Hi High (pH 8-9.5) 3.30 3.99 -7.71 1 4 0 49 298.452 8

Activity (Go SEA)

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