UCSF

ZINC55506499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 22 Yes

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) 2.99 10.56 -40.91 1 3 1 25 305.417 3
Hi High (pH 8-9.5) 2.99 8.83 -9.64 0 3 0 24 304.409 3

Activity (Go SEA)

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