UCSF

ZINC36639744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 5.85 12.14 -15.8 1 4 0 55 408.91 4
Hi High (pH 8-9.5) 5.92 10.73 -51.13 0 4 -1 61 407.902 4

Activity (Go SEA)

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