UCSF

ZINC34949438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 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) 1.18 6.19 -37.28 4 5 1 81 288.371 5
Hi High (pH 8-9.5) 1.31 6.18 -39.21 4 5 1 78 288.371 5

Activity (Go SEA)

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