UCSF

ZINC26339453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.89 9.1 -9.96 1 4 0 42 314.429 6
Lo Low (pH 4.5-6) 3.89 8.69 -32.64 2 4 1 43 315.437 6

Activity (Go SEA)

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