UCSF

ZINC04245667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 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) -2.34 -5.37 -42.47 6 9 1 145 245.215 2
Mid Mid (pH 6-8) -2.34 -5.86 -16.56 5 9 0 144 244.207 2

Activity (Go SEA)

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