UCSF

ZINC20876223

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) 4.97 10.82 -53.62 2 5 1 54 430.883 8
Hi High (pH 8-9.5) 4.97 9.41 -8.46 1 5 0 49 429.875 8

Activity (Go SEA)

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