UCSF

ZINC36851204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 No

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) 0.08 2.93 -45.84 2 5 1 63 229.3 6
Hi High (pH 8-9.5) 0.08 1.92 -8.15 1 5 0 59 228.292 6
Mid Mid (pH 6-8) 0.08 1.94 -7.92 1 5 0 59 228.292 6

Activity (Go SEA)

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