UCSF

ZINC16688983

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 3.38 10.41 -51.51 2 7 1 72 412.51 8
Hi High (pH 8-9.5) 3.38 7.93 -15.53 1 7 0 71 411.502 8

Activity (Go SEA)

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