UCSF

ZINC61077367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2011 15 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) 1.80 4.73 -7.77 1 3 0 32 206.289 4
Lo Low (pH 4.5-6) 1.80 5.5 -22.61 2 3 0 34 207.297 4

Activity (Go SEA)

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