UCSF

ZINC35889959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 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) 5.25 15.45 -35.59 1 5 1 51 437.567 3
Mid Mid (pH 6-8) 5.25 15.13 -12.37 0 5 0 49 436.559 3

Activity (Go SEA)

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