UCSF

ZINC42100516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 2.08 6.89 -9.29 0 4 0 52 317.142 2
Lo Low (pH 4.5-6) 2.08 7.06 -33.02 1 4 1 53 318.15 2

Activity (Go SEA)

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