UCSF

ZINC33828162

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 34 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) 2.82 10.46 -15.19 0 7 0 62 461.61 10
Mid Mid (pH 6-8) 2.82 11.23 -35.9 1 7 1 63 462.618 10
Lo Low (pH 4.5-6) 2.82 13.42 -99.47 2 7 2 64 463.626 10

Activity (Go SEA)

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