UCSF

ZINC41542414

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 3.90 11.7 -65.91 1 6 0 74 454.954 8
Lo Low (pH 4.5-6) 3.90 10.93 -49 2 6 1 71 455.962 8

Activity (Go SEA)

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