UCSF

ZINC16895373

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 36 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) 6.33 10.62 -19.84 2 7 0 93 521.664 7
Hi High (pH 8-9.5) 6.79 9.37 -52.62 1 7 -1 96 520.656 7

Activity (Go SEA)

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