UCSF

ZINC40103138

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 37 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) 7.63 15.7 -62.64 0 5 -1 70 517.045 10
Lo Low (pH 4.5-6) 7.63 14.94 -15.44 1 5 0 67 518.053 10

Activity (Go SEA)

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