UCSF

ZINC16684092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 26 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) 5.03 8.14 -13.92 1 7 0 100 369.402 5
Mid Mid (pH 6-8) 4.54 8.52 -39.5 0 7 -1 99 368.394 6

Activity (Go SEA)

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