UCSF

ZINC19809283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 23 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) 1.85 6.05 -15.69 2 6 0 88 305.293 1
Hi High (pH 8-9.5) 2.31 5.36 -55.12 1 6 -1 91 304.285 1

Activity (Go SEA)

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