UCSF

ZINC19687980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 0.17 2.9 -54.54 3 4 1 51 266.34 4
Mid Mid (pH 6-8) 0.17 5.23 -113.44 4 4 2 52 267.348 4

Activity (Go SEA)

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