UCSF

ZINC16411209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 25 No

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) 4.02 8.58 -10.91 1 5 0 71 356.809 6
Hi High (pH 8-9.5) 4.20 6.91 -42.1 0 5 -1 78 355.801 6

Activity (Go SEA)

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