UCSF

ZINC31960945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) -0.26 0.24 -54.25 5 7 1 94 322.433 9
Mid Mid (pH 6-8) -0.26 2.57 -97.68 6 7 2 95 323.441 9
Lo Low (pH 4.5-6) -0.26 3.04 -160.38 7 7 3 97 324.449 9

Activity (Go SEA)

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