UCSF

ZINC00944750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 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) 3.96 9.77 -13.85 1 8 0 100 435.498 11
Hi High (pH 8-9.5) 4.15 7.87 -41.31 0 8 -1 106 434.49 11

Activity (Go SEA)

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