UCSF

ZINC19787593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 4.34 13.59 -69.71 1 5 0 65 483.406 9
Hi High (pH 8-9.5) 4.34 11.36 -58.64 0 5 -1 64 482.398 9

Activity (Go SEA)

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