UCSF

ZINC30325686

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 27 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) 3.26 4.72 -11.63 0 6 0 59 410.923 6
Mid Mid (pH 6-8) 3.26 7.04 -54.19 1 6 1 60 411.931 6

Activity (Go SEA)

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