UCSF

ZINC44517172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 1.24 6.74 -98.69 3 4 2 39 238.379 4
Hi High (pH 8-9.5) 1.24 5.72 -36.17 2 4 1 34 237.371 4

Activity (Go SEA)

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