UCSF

ZINC37084653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.24 5.59 -12.16 1 6 0 61 284.367 3
Lo Low (pH 4.5-6) 1.24 5.72 -38.59 2 6 1 62 285.375 3

Activity (Go SEA)

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