UCSF

ZINC48335119

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 19 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) 2.96 7.01 -34.14 1 3 1 17 328.274 4
Lo Low (pH 4.5-6) 2.96 9.3 -97.1 2 3 2 18 329.282 4

Activity (Go SEA)

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