UCSF

ZINC16647974

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 18 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) 3.34 6.68 -10.77 1 3 0 42 242.322 2
Lo Low (pH 4.5-6) 3.34 6.96 -27.5 2 3 1 43 243.33 2

Activity (Go SEA)

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