UCSF

ZINC33712956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 5.24 13.01 -18.5 1 7 0 78 431.492 7
Mid Mid (pH 6-8) 5.24 13.43 -36.23 2 7 1 79 432.5 7

Activity (Go SEA)

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