UCSF

ZINC31959601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.67 6.23 -58.96 4 5 1 79 340.428 6
Hi High (pH 8-9.5) 3.23 5.1 -13.97 3 5 0 80 339.42 5
Mid Mid (pH 6-8) 2.48 5.16 -46.71 3 5 0 85 339.42 6

Activity (Go SEA)

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