UCSF

ZINC12231370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 30 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) 3.00 9.5 -54.4 2 7 1 72 412.51 9
Hi High (pH 8-9.5) 3.00 7.01 -15.11 1 7 0 71 411.502 9

Activity (Go SEA)

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