UCSF

ZINC53118775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.22 4.23 -35.66 4 4 1 66 291.415 6
Hi High (pH 8-9.5) 2.22 3.42 -8.07 3 4 0 61 290.407 6

Activity (Go SEA)

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