UCSF

ZINC37079537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.22 1.56 -38.55 3 2 1 31 143.254 4
Mid Mid (pH 6-8) 0.22 3.5 -107.31 4 2 2 32 144.262 4
Mid Mid (pH 6-8) 0.22 3.17 -24.62 3 2 1 30 143.254 4

Activity (Go SEA)

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