UCSF

ZINC35498490

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 1.88 8.31 -37.6 2 5 1 48 333.452 11
Hi High (pH 8-9.5) 1.88 5.11 -6.57 1 5 0 47 332.444 11

Activity (Go SEA)

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