UCSF

ZINC40028072

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 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) 4.24 10.11 -60.23 0 6 -1 79 432.496 6
Lo Low (pH 4.5-6) 4.24 9.36 -14.49 1 6 0 76 433.504 6

Activity (Go SEA)

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