UCSF

ZINC43493095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 28 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) 0.36 3.95 -16 3 9 0 126 385.355 4
Hi High (pH 8-9.5) 0.81 1.42 -53.74 2 9 -1 129 384.347 4

Activity (Go SEA)

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