UCSF

ZINC07436982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2006 23 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) 3.43 9.04 -42.95 2 5 1 60 388.257 6
Hi High (pH 8-9.5) 3.43 6.85 -7.18 1 5 0 59 387.249 6
Hi High (pH 8-9.5) 3.24 5.87 -39.21 0 5 -1 65 386.241 6

Activity (Go SEA)

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