UCSF

ZINC36673442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 1.63 4.44 -45.93 2 4 1 44 250.318 1
Hi High (pH 8-9.5) 1.63 3.16 -6.03 1 4 0 40 249.31 1

Activity (Go SEA)

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