UCSF

ZINC18219894

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.75 7.16 -49.47 0 5 -1 66 239.258 1
Lo Low (pH 4.5-6) 2.29 8.59 -19.58 1 5 0 63 240.266 1

Activity (Go SEA)

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