UCSF

ZINC22699685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.99 7.99 -20.4 2 7 0 96 481.549 6
Mid Mid (pH 6-8) 2.99 7.96 -54.51 1 7 -1 98 480.541 6

Activity (Go SEA)

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