UCSF

ZINC31933013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.40 10.94 -45.1 1 4 1 31 296.394 5
Mid Mid (pH 6-8) 3.40 9.41 -12.58 0 4 0 30 295.386 5
Lo Low (pH 4.5-6) 3.40 11.4 -86.58 2 4 2 32 297.402 5

Activity (Go SEA)

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