UCSF

ZINC37052021

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) -1.04 1.91 -8.16 2 5 0 59 275.352 3
Mid Mid (pH 6-8) -1.04 2.22 -46.05 3 5 1 60 276.36 3
Mid Mid (pH 6-8) -1.04 4.19 -40.44 3 5 1 60 276.36 3
Lo Low (pH 4.5-6) -1.04 4.49 -97.38 4 5 2 62 277.368 3

Activity (Go SEA)

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