UCSF

ZINC21789758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.93 7.19 -53.03 3 2 1 37 301.168 3
Hi High (pH 8-9.5) 2.93 6.87 -5.76 2 2 0 35 300.16 3

Activity (Go SEA)

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