UCSF

ZINC31914175

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) 4.51 9.72 -10.76 1 3 0 38 294.398 3
Mid Mid (pH 6-8) 4.51 10.13 -27.2 2 3 1 39 295.406 3

Activity (Go SEA)

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