UCSF

ZINC22073084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 3.00 10.3 -10.3 2 4 0 54 331.419 5
Lo Low (pH 4.5-6) 3.00 10.65 -40.44 3 4 1 55 332.427 5

Activity (Go SEA)

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