UCSF

ZINC37052224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) -1.31 4.08 -38.26 3 4 1 51 220.296 3
Mid Mid (pH 6-8) -1.31 4.37 -94.7 4 4 2 52 221.304 3

Activity (Go SEA)

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