UCSF

ZINC16894468

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) 6.27 10.55 -19.95 2 7 0 93 509.653 8
Hi High (pH 8-9.5) 6.72 9.31 -49.14 1 7 -1 96 508.645 8

Activity (Go SEA)

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