UCSF

ZINC42411775

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 2.51 3.9 -36.25 3 3 1 46 289.193 7
Hi High (pH 8-9.5) 2.51 2.52 -6.07 2 3 0 41 288.185 7

Activity (Go SEA)

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