UCSF

ZINC29476808

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 2.35 9.54 -59.08 1 6 -1 90 403.524 6
Hi High (pH 8-9.5) 2.35 10 -111.87 1 6 -2 90 402.516 6

Activity (Go SEA)

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