UCSF

ZINC37004754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.06 6.99 -11.58 1 6 0 69 300.753 4
Lo Low (pH 4.5-6) 2.06 7.16 -38.87 2 6 1 70 301.761 4

Activity (Go SEA)

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