UCSF

ZINC34683250

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) 3.89 8.85 -58.71 2 6 1 63 413.538 7
Hi High (pH 8-9.5) 3.89 9.61 -47.48 1 6 0 66 412.53 7

Activity (Go SEA)

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