UCSF

ZINC36946347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 1.09 3.85 -39.97 2 3 1 29 226.731 2
Lo Low (pH 4.5-6) 1.09 2.95 -41.98 2 3 1 33 226.731 2

Activity (Go SEA)

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