UCSF

ZINC36617157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 4.78 9.96 -12.79 1 7 0 91 487.35 8
Ref Reference (pH 7) 4.78 10.33 -14.49 1 7 0 91 487.35 8
Hi High (pH 8-9.5) 4.78 11.24 -43.71 0 7 -1 93 486.342 8
Hi High (pH 8-9.5) 4.78 10.87 -41.21 0 7 -1 93 486.342 8

Activity (Go SEA)

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