UCSF

ZINC34921036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.70 11.89 -48.66 0 9 -1 132 494.892 5
Lo Low (pH 4.5-6) 4.70 11.14 -12.61 1 9 0 129 495.9 5

Activity (Go SEA)

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