UCSF

ZINC37979865

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 0.55 2.19 -47.16 3 6 1 79 287.409 4
Hi High (pH 8-9.5) 0.55 -0.04 -9.24 2 6 0 78 286.401 4

Activity (Go SEA)

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