UCSF

ZINC37438439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 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) -0.87 4.47 -62.6 1 7 -1 106 280.285 3
Hi High (pH 8-9.5) -0.41 2.53 -100.64 0 7 -2 109 279.277 3

Activity (Go SEA)

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