UCSF

ZINC10267178

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 23 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) 3.22 2.09 -18.41 1 4 0 65 333.363 4
Lo Low (pH 4.5-6) 3.22 2.21 -55.94 2 4 1 67 334.371 4

Activity (Go SEA)

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