UCSF

ZINC31963691

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) 1.30 4.35 -56.69 4 5 1 79 292.384 6
Hi High (pH 8-9.5) 1.49 3.21 -60.89 3 5 0 85 291.376 6

Activity (Go SEA)

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