UCSF

ZINC37052246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -0.68 1.87 -7.39 2 5 0 59 340.221 3
Mid Mid (pH 6-8) -0.67 4.15 -42.98 3 5 1 60 341.229 3
Mid Mid (pH 6-8) -0.67 2.17 -47.86 3 5 1 60 341.229 3
Lo Low (pH 4.5-6) -0.67 4.45 -102.64 4 5 2 62 342.237 3

Activity (Go SEA)

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