UCSF

ZINC45527347

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 31 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) 2.81 10.9 -16.12 0 6 0 68 438.959 6
Mid Mid (pH 6-8) 2.81 13.04 -60.31 1 6 1 69 439.967 6

Activity (Go SEA)

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