UCSF

ZINC19834239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 2.22 3.32 -38.09 4 5 1 76 279.751 4
Hi High (pH 8-9.5) 2.22 2.91 -11.15 3 5 0 75 278.743 4

Activity (Go SEA)

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