UCSF

ZINC45915449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.83 10.22 -44.46 1 3 1 31 302.316 8
Mid Mid (pH 6-8) 2.83 8.15 -5.66 0 3 0 30 301.308 8

Activity (Go SEA)

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