UCSF

ZINC31975579

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 3.46 7.05 -54.01 3 4 1 54 302.785 4
Hi High (pH 8-9.5) 3.46 6.66 -9.74 2 4 0 53 301.777 4
Lo Low (pH 4.5-6) 3.46 7.47 -106.53 4 4 2 55 303.793 4

Activity (Go SEA)

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