UCSF

ZINC35881209

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 2.21 6.48 -17.87 0 7 0 54 471.573 9
Mid Mid (pH 6-8) 2.21 8.75 -48.19 1 7 1 56 472.581 9
Lo Low (pH 4.5-6) 2.21 11.01 -108.89 2 7 2 57 473.589 9

Activity (Go SEA)

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