UCSF

ZINC37795466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.91 8.38 -48.18 1 5 -1 74 269.28 4
Lo Low (pH 4.5-6) 1.91 6.38 -10.81 2 5 0 71 270.288 4

Activity (Go SEA)

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