UCSF

ZINC16146801

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 26 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) 3.60 5.13 -13.25 1 6 0 84 396.534 5
Hi High (pH 8-9.5) 3.60 5.55 -51.98 0 6 -1 86 395.526 5

Activity (Go SEA)

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