UCSF

ZINC31962838

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) -0.07 2 -92.69 5 6 2 77 265.361 4
Hi High (pH 8-9.5) -0.07 -0.76 -11.81 3 6 0 74 263.345 4
Mid Mid (pH 6-8) -0.07 1.62 -42.18 4 6 1 76 264.353 4
Mid Mid (pH 6-8) -0.07 -0.37 -53.91 4 6 1 76 264.353 4
Lo Low (pH 4.5-6) -0.07 2.3 -169.22 6 6 3 79 266.369 4

Activity (Go SEA)

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