UCSF

ZINC37813060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.21 6.72 -43.77 3 5 1 74 279.36 8
Hi High (pH 8-9.5) -0.21 6.37 -10.73 2 5 0 73 278.352 8

Activity (Go SEA)

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