UCSF

ZINC35276551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 0.93 4.96 -38.27 2 5 1 56 253.322 5
Lo Low (pH 4.5-6) 0.93 6.18 -99.51 3 5 2 60 254.33 5
Lo Low (pH 4.5-6) 0.93 3.8 -35.37 2 5 1 59 253.322 5

Activity (Go SEA)

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