UCSF

ZINC36885786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.69 8.53 -37.61 1 5 0 63 277.32 6
Hi High (pH 8-9.5) 0.69 6.26 -50.15 0 5 -1 62 276.312 6

Activity (Go SEA)

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