UCSF

ZINC22198476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 23 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) 3.89 10.75 -48.49 2 3 1 34 376.318 7
Hi High (pH 8-9.5) 3.89 8.34 -8.62 1 3 0 32 375.31 7

Activity (Go SEA)

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