UCSF

ZINC37815942

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 2.68 8.01 -40.4 2 4 1 46 291.415 7
Hi High (pH 8-9.5) 2.68 6.81 -8.6 1 4 0 42 290.407 7

Activity (Go SEA)

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