UCSF

ZINC61642424

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 21 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) 1.33 4.04 -93.74 4 4 2 39 312.889 6
Hi High (pH 8-9.5) 1.33 1.55 -49.58 3 4 1 37 311.881 6

Activity (Go SEA)

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