UCSF

ZINC09756077

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 35 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) 5.56 8.44 -17.98 1 8 0 99 511.625 8
Mid Mid (pH 6-8) 5.56 7.49 -55.02 0 8 -1 101 510.617 8
Mid Mid (pH 6-8) 5.56 8.46 -64.06 0 8 -1 101 510.617 8

Activity (Go SEA)

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