UCSF

ZINC34864777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 6.23 15.39 -13.12 0 5 0 49 463.025 6
Lo Low (pH 4.5-6) 6.23 15.71 -40.77 1 5 1 51 464.033 6

Activity (Go SEA)

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