UCSF

ZINC20052884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 3.76 6.57 -39.9 3 3 1 46 253.41 4
Hi High (pH 8-9.5) 3.76 5.49 -7.79 2 3 0 41 252.402 4

Activity (Go SEA)

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