UCSF

ZINC16683764

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 3.25 10.44 -52.13 2 9 1 91 486.589 11
Hi High (pH 8-9.5) 3.25 7.95 -14.55 1 9 0 90 485.581 11

Activity (Go SEA)

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