UCSF

ZINC35273995

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 2.63 5.2 -5.85 2 3 0 41 229.327 5
Lo Low (pH 4.5-6) 2.63 6.62 -45.49 3 3 1 45 230.335 5

Activity (Go SEA)

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