UCSF

ZINC42920920

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 25 No

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) 6.24 7.37 -42.32 5 3 1 68 350.567 15
Hi High (pH 8-9.5) 6.24 7.07 -5.25 4 3 0 66 349.559 15

Activity (Go SEA)

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