UCSF

ZINC41540847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 No

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) 2.54 7.57 -55.08 0 4 -1 60 310.304 3
Lo Low (pH 4.5-6) 2.54 6.82 -11.73 1 4 0 58 311.312 3

Activity (Go SEA)

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