UCSF

ZINC36639751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 6.50 12.65 -15.96 1 4 0 55 443.355 4
Hi High (pH 8-9.5) 6.57 11.24 -50.72 0 4 -1 61 442.347 4

Activity (Go SEA)

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