UCSF

ZINC22162392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 13 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) 0.86 4.35 -47.95 2 3 1 37 185.291 2
Hi High (pH 8-9.5) 0.86 2.88 -6.59 1 3 0 32 184.283 2

Activity (Go SEA)

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