UCSF

ZINC62090794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 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) 2.42 8.88 -46.19 2 5 1 50 344.479 6
Mid Mid (pH 6-8) 2.42 6.87 -12.26 1 5 0 49 343.471 6

Activity (Go SEA)

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