UCSF

ZINC36881448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.69 2.75 -13.16 1 5 0 65 293.772 7
Hi High (pH 8-9.5) 1.69 2.79 -42.61 0 5 -1 67 292.764 7

Activity (Go SEA)

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