UCSF

ZINC40052758

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 27 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) 2.34 5.64 -57.02 1 5 -1 81 372.347 6
Lo Low (pH 4.5-6) 2.34 4.88 -16.43 2 5 0 78 373.355 6

Activity (Go SEA)

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