UCSF

ZINC01329823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 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) 2.68 -6.9 -17.63 2 8 0 114 422.463 7
Hi High (pH 8-9.5) 2.68 -6.32 -40.71 1 8 -1 116 421.455 7

Activity (Go SEA)

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