UCSF

ZINC16701564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 29 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) 0.70 -2.11 -30.54 3 10 0 161 459.527 5
Hi High (pH 8-9.5) 0.70 -2.03 -59.48 2 10 -1 163 458.519 5

Activity (Go SEA)

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