UCSF

ZINC16905187

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 23 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) 4.55 9.03 -55.72 1 5 -1 85 323.353 3
Ref Reference (pH 7) 4.06 8.52 -100.01 0 5 -2 84 322.345 4

Activity (Go SEA)

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