UCSF

ZINC31959897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.43 4.34 -58.11 4 4 1 70 260.342 2
Hi High (pH 8-9.5) 1.24 2.55 -52.21 2 4 -1 74 258.326 2
Mid Mid (pH 6-8) 1.43 3.95 -19.6 3 4 0 68 259.334 2
Mid Mid (pH 6-8) 1.24 3.28 -47.18 3 4 0 76 259.334 2

Activity (Go SEA)

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