UCSF

ZINC37809622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -2.24 -4.12 -58.44 4 6 1 102 251.328 4
Hi High (pH 8-9.5) -2.24 -4.31 -16.46 3 6 0 101 250.32 4

Activity (Go SEA)

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