UCSF

ZINC20100691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 36 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) 4.53 10.63 -29.37 3 8 0 121 505.596 10
Hi High (pH 8-9.5) 4.53 11.42 -75.13 2 8 -1 124 504.588 10

Activity (Go SEA)

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