UCSF

ZINC20300261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 1.28 6.59 -100.94 3 5 2 51 301.475 9
Hi High (pH 8-9.5) 1.28 5.51 -36.23 2 5 1 46 300.467 9

Activity (Go SEA)

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