UCSF

ZINC09527573

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 19 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) 1.66 4.59 -11.6 2 5 0 59 258.325 3
Mid Mid (pH 6-8) 1.29 3.33 -36.24 3 5 1 64 259.333 4
Lo Low (pH 4.5-6) 1.66 4.72 -35.39 3 5 1 60 259.333 3

Activity (Go SEA)

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