UCSF

ZINC36459915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.39 8.22 -31.48 1 3 1 31 212.313 6
Mid Mid (pH 6-8) 2.39 6.15 -4.68 0 3 0 30 211.305 6

Activity (Go SEA)

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