UCSF

ZINC36851749

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 3.23 -48.65 2 5 1 63 229.3 6
Mid Mid (pH 6-8) -0.08 1.97 -7.91 1 5 0 59 228.292 6
Mid Mid (pH 6-8) -0.08 1.96 -7.43 1 5 0 59 228.292 6

Activity (Go SEA)

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