UCSF

ZINC26007978

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 32 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) 4.18 13.28 -78.73 2 4 2 15 440.72 6
Mid Mid (pH 6-8) 4.18 13.27 -97.65 2 4 2 15 440.72 6
Lo Low (pH 4.5-6) 4.18 15.51 -179.5 3 4 3 17 441.728 6
Lo Low (pH 4.5-6) 4.18 15.53 -166.37 3 4 3 17 441.728 6

Activity (Go SEA)

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