UCSF

ZINC34656036

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 2.72 6.87 -38.49 2 4 1 48 287.383 8
Lo Low (pH 4.5-6) 2.72 7.33 -89.96 3 4 2 49 288.391 8

Activity (Go SEA)

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