UCSF

ZINC19815065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 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) 1.87 5.61 -46.13 3 2 1 41 255.794 3
Hi High (pH 8-9.5) 1.87 5.32 -3.33 2 2 0 39 254.786 3

Activity (Go SEA)

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