UCSF

ZINC29018431

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 17 No

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) -0.41 1.67 -21.17 2 6 0 79 253.645 2
Mid Mid (pH 6-8) -0.23 -0.13 -54.13 1 6 -1 85 252.637 2

Activity (Go SEA)

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