UCSF

ZINC42579702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.75 6.88 -38.75 3 3 1 46 253.41 5
Hi High (pH 8-9.5) 3.75 6.07 -6.2 2 3 0 41 252.402 5

Activity (Go SEA)

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