UCSF

ZINC21486437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 25 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) 3.95 7.64 -103.72 0 6 -2 101 392.845 5
Mid Mid (pH 6-8) 3.95 7.5 -47.89 1 6 -1 99 393.853 5

Activity (Go SEA)

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