UCSF

ZINC37980028

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 2.93 2.39 -43.14 0 6 -1 80 346.171 3
Lo Low (pH 4.5-6) 2.93 1.95 -11.45 1 6 0 78 347.179 3

Activity (Go SEA)

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