UCSF

ZINC37052062

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) -0.75 4.6 -10.4 2 4 0 59 253.305 2
Mid Mid (pH 6-8) -0.75 4.9 -46.98 3 4 1 61 254.313 2
Lo Low (pH 4.5-6) -0.75 5.37 -89.73 4 4 2 62 255.321 2

Activity (Go SEA)

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