UCSF

ZINC31960263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.00 6.5 -52.97 2 6 -1 94 330.339 8
Mid Mid (pH 6-8) 2.00 6.96 -74.39 3 6 0 95 331.347 8
Lo Low (pH 4.5-6) 2.00 5.84 -48.74 4 6 1 93 332.355 8

Activity (Go SEA)

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