UCSF

ZINC37052493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.39 4.55 -9.53 2 4 0 59 318.174 2
Mid Mid (pH 6-8) -0.39 4.85 -49.5 3 4 1 61 319.182 2

Activity (Go SEA)

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