UCSF

ZINC35871412

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 36 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) 3.77 12.46 -13.22 1 6 0 72 491.517 5
Lo Low (pH 4.5-6) 3.77 12.92 -49.98 2 6 1 74 492.525 5

Activity (Go SEA)

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