UCSF

ZINC44420750

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 20 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) 2.78 5.74 -48.88 2 5 -1 79 275.328 2
Lo Low (pH 4.5-6) 2.78 5.93 -53.44 3 5 0 80 276.336 2

Activity (Go SEA)

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