UCSF

ZINC20389050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) -0.26 -1.12 -13.47 1 6 0 73 257.315 2
Hi High (pH 8-9.5) 0.19 -3.23 -45.98 0 6 -1 77 256.307 2

Activity (Go SEA)

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