UCSF

ZINC16899083

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 35 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) 7.02 12.04 -23.29 2 6 0 92 505.665 8
Hi High (pH 8-9.5) 7.48 10.78 -54.91 1 6 -1 95 504.657 8

Activity (Go SEA)

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