UCSF

ZINC15842133

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 25 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) 3.45 8.26 -29.17 0 5 0 52 334.375 3
Lo Low (pH 4.5-6) 3.45 8.55 -34.85 1 5 1 53 335.383 3

Activity (Go SEA)

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