UCSF

ZINC06753207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 4.05 6.06 -11.36 3 6 0 89 391.471 5
Hi High (pH 8-9.5) 4.05 6.89 -48.68 2 6 -1 92 390.463 5

Activity (Go SEA)

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