UCSF

ZINC31935322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.63 6.11 -48.69 3 4 1 58 267.356 3
Lo Low (pH 4.5-6) 1.63 6.52 -98.55 4 4 2 59 268.364 3

Activity (Go SEA)

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