UCSF

ZINC20893823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 4.91 8.07 -18.63 2 6 0 92 423.538 5
Hi High (pH 8-9.5) 4.91 8.14 -48.88 1 6 -1 94 422.53 5

Activity (Go SEA)

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