UCSF

ZINC28767084

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 35 Yes

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) 1.36 12.61 -89.43 1 7 0 79 483.515 7
Lo Low (pH 4.5-6) -1.39 11.66 -65.57 2 7 1 82 484.523 6

Activity (Go SEA)

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