UCSF

ZINC53876083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 14 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) 0.24 1.84 -105.32 5 3 2 52 200.326 3
Mid Mid (pH 6-8) 0.24 -0.04 -46.19 4 3 1 51 199.318 3
Mid Mid (pH 6-8) 0.24 1.56 -28.88 4 3 1 51 199.318 3

Activity (Go SEA)

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