UCSF

ZINC33918125

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 32 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 6.56 -10.37 2 5 0 61 463.422 8
Mid Mid (pH 6-8) 3.43 8.83 -50.47 3 5 1 62 464.43 8

Activity (Go SEA)

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