UCSF

ZINC37795710

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) 1.22 6.31 -104.19 1 6 -2 109 283.186 4
Lo Low (pH 4.5-6) 1.22 4.31 -55.26 2 6 -1 107 284.194 4

Activity (Go SEA)

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