UCSF

ZINC28703390

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 30 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) 0.26 9.27 -124.11 2 8 0 115 410.474 8
Hi High (pH 8-9.5) 0.26 7.87 -72.08 1 8 -1 110 409.466 8
Mid Mid (pH 6-8) -2.48 8.31 -95.33 3 8 1 118 411.482 7

Activity (Go SEA)

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