UCSF

ZINC22853415

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 31 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) 4.81 12.5 -42.93 1 7 0 84 442.585 8
Hi High (pH 8-9.5) 4.81 10.48 -53.76 0 7 -1 83 441.577 8

Activity (Go SEA)

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