UCSF

ZINC24886829

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 26 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) 3.18 6.44 -43.42 2 4 1 32 358.55 6
Mid Mid (pH 6-8) 3.18 8.81 -109.73 3 4 2 34 359.558 6

Activity (Go SEA)

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