UCSF

ZINC37052253

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) -0.44 4.59 -8.69 2 4 0 59 318.174 2
Mid Mid (pH 6-8) -0.44 4.89 -49.52 3 4 1 61 319.182 2
Lo Low (pH 4.5-6) -0.44 5.04 -38.67 3 4 1 60 319.182 2
Lo Low (pH 4.5-6) -0.44 5.35 -94.21 4 4 2 62 320.19 2

Activity (Go SEA)

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