UCSF

ZINC33824491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 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) 6.18 15.46 -43.87 1 2 1 8 436.044 4
Mid Mid (pH 6-8) 6.18 13.2 -4.3 0 2 0 6 435.036 4

Activity (Go SEA)

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