UCSF

ZINC40019274

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 6.67 15.24 -70.1 1 6 0 74 527.105 15
Lo Low (pH 4.5-6) 6.67 14.53 -46.88 2 6 1 71 528.113 15

Activity (Go SEA)

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