UCSF

ZINC19359760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 28 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) 5.72 15.08 -38.36 1 2 1 8 371.548 6
Mid Mid (pH 6-8) 5.72 12.7 -3.03 0 2 0 6 370.54 6
Mid Mid (pH 6-8) 5.72 14.34 -33.16 1 2 1 8 371.548 6

Activity (Go SEA)

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