UCSF

ZINC13989273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 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) 3.74 9.1 -6.69 0 4 0 35 362.473 8
Lo Low (pH 4.5-6) 3.74 11.71 -101.48 2 4 2 37 364.489 8

Activity (Go SEA)

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