UCSF

ZINC20159477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 0.93 5.8 -46.83 1 7 -1 100 294.312 7
Hi High (pH 8-9.5) 0.93 4.93 -108.49 0 7 -2 98 293.304 7
Mid Mid (pH 6-8) 0.93 5.86 -47.89 1 7 -1 100 294.312 7

Activity (Go SEA)

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