UCSF

ZINC19589971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 24 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) 2.50 6.52 -38.97 2 5 1 48 326.42 4
Hi High (pH 8-9.5) 2.50 4.22 -12.23 1 5 0 47 325.412 4

Activity (Go SEA)

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