UCSF

ZINC20217822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 0.00 4.97 -93.74 3 4 2 41 213.325 1
Hi High (pH 8-9.5) 0.00 2.46 -37.08 2 4 1 40 212.317 1
Hi High (pH 8-9.5) 0.00 1.16 -9.74 1 4 0 36 211.309 1
Hi High (pH 8-9.5) 0.00 3.67 -44.17 2 4 1 37 212.317 1

Activity (Go SEA)

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