UCSF

ZINC44442984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2010 21 Yes

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) 3.75 8.71 -11.47 1 3 0 42 282.387 4
Lo Low (pH 4.5-6) 3.75 9.09 -34.08 2 3 1 43 283.395 4

Activity (Go SEA)

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