UCSF

ZINC20838447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 3.32 9.85 -17.9 1 6 0 73 373.507 6
Hi High (pH 8-9.5) 3.51 8.77 -46.11 0 6 -1 79 372.499 6

Activity (Go SEA)

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