UCSF

ZINC35587825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 31 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) 4.46 6.99 -54.58 0 6 -1 86 463.507 5
Lo Low (pH 4.5-6) 4.46 6.95 -15.63 1 6 0 84 464.515 5

Activity (Go SEA)

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