UCSF

ZINC40047094

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 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) 3.18 8.13 -58.79 1 5 -1 81 386.427 6
Lo Low (pH 4.5-6) 3.18 7.37 -12.96 2 5 0 78 387.435 6

Activity (Go SEA)

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