UCSF

ZINC28629050

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 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) 2.07 9.89 -61.43 1 8 -1 110 461.472 8
Hi High (pH 8-9.5) 2.26 9.13 -107.61 0 8 -2 116 460.464 8

Activity (Go SEA)

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