UCSF

ZINC22107461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 29 No

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) 4.05 10.35 -47.22 0 5 -1 67 401.467 3
Lo Low (pH 4.5-6) 3.59 11.43 -11.88 1 5 0 64 402.475 3

Activity (Go SEA)

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