UCSF

ZINC16736533

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 26 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) 4.35 9.66 -12.17 1 5 0 56 434.359 7
Lo Low (pH 4.5-6) 4.35 10.03 -34.34 2 5 1 57 435.367 7

Activity (Go SEA)

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