UCSF

ZINC35889749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 4.55 12.17 -13.13 0 7 0 68 460.578 6
Mid Mid (pH 6-8) 4.55 12.5 -35.86 1 7 1 69 461.586 6

Activity (Go SEA)

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