UCSF

ZINC34670797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 4.51 9.99 -37.61 2 1 1 17 258.41 4
Hi High (pH 8-9.5) 4.51 8.71 -3.65 1 1 0 12 257.402 4

Activity (Go SEA)

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