UCSF

ZINC41667458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 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) 2.11 5.56 -11.28 0 6 0 73 325.32 3
Lo Low (pH 4.5-6) 2.11 8.36 -46.7 1 6 1 74 326.328 3

Activity (Go SEA)

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