UCSF

ZINC36754009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.44 3.83 -46.14 4 4 1 60 317.24 3
Lo Low (pH 4.5-6) 2.44 6.02 -107.09 5 4 2 61 318.248 3

Activity (Go SEA)

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