UCSF

ZINC20358364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 4.50 12.65 -66.57 1 6 0 74 468.569 11
Hi High (pH 8-9.5) 4.50 10.44 -55.43 0 6 -1 73 467.561 11

Activity (Go SEA)

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