UCSF

ZINC31963626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.58 3.51 -57.23 4 5 1 79 312.802 5
Hi High (pH 8-9.5) 1.77 2.38 -56.08 3 5 0 85 311.794 5

Activity (Go SEA)

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