UCSF

ZINC41514771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.48 11.79 -47.41 2 6 1 73 432.496 7
Mid Mid (pH 6-8) 4.48 9.42 -17.04 1 6 0 72 431.488 7

Activity (Go SEA)

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