UCSF

ZINC36639243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 4.89 11.41 -21.79 1 6 0 88 387.848 5
Hi High (pH 8-9.5) 4.96 10.69 -51.1 0 6 -1 94 386.84 5

Activity (Go SEA)

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