UCSF

ZINC37114247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.38 1.56 -38.57 3 3 1 46 176.28 8
Hi High (pH 8-9.5) 1.38 0.07 -4.04 2 3 0 41 175.272 8

Activity (Go SEA)

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