UCSF

ZINC39972620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 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) 3.57 9.08 -13.58 0 6 0 52 390.553 8
Mid Mid (pH 6-8) 3.57 11.35 -46.44 1 6 1 54 391.561 8

Activity (Go SEA)

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