UCSF

ZINC42161909

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) 0.44 6.1 -42.59 0 7 -1 95 264.261 5
Lo Low (pH 4.5-6) 0.44 4.13 -10.42 1 7 0 93 265.269 5

Activity (Go SEA)

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