UCSF

ZINC34687078

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.61 7.85 -12.65 0 6 0 51 412.53 9
Lo Low (pH 4.5-6) 2.61 10.14 -37.86 1 6 1 52 413.538 9

Activity (Go SEA)

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