UCSF

ZINC33817319

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 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) 5.53 12.22 -48.22 1 3 1 13 423.433 6
Hi High (pH 8-9.5) 5.53 9.96 -5.65 0 3 0 11 422.425 6

Activity (Go SEA)

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