UCSF

ZINC33491955

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 5.62 14.93 -48.43 1 5 0 65 469.025 10
Lo Low (pH 4.5-6) 5.62 13.79 -46.83 2 5 1 62 470.033 10

Activity (Go SEA)

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