UCSF

ZINC34678762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 No

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) 5.46 15.73 -56.53 1 6 1 71 448.518 6
Hi High (pH 8-9.5) 5.46 13.49 -11.39 0 6 0 69 447.51 6

Activity (Go SEA)

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