UCSF

ZINC16133622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 24 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) 2.14 7.17 -13.93 2 5 0 70 345.468 6
Mid Mid (pH 6-8) 2.14 7.59 -35.32 3 5 1 71 346.476 6

Activity (Go SEA)

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