UCSF

ZINC37039798

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) 0.78 5.26 -93.43 4 4 2 48 286.423 4
Hi High (pH 8-9.5) 0.78 4.87 -36.67 3 4 1 47 285.415 4

Activity (Go SEA)

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