UCSF

ZINC42161035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) -0.70 1.08 -111.06 0 8 -2 118 279.252 4
Lo Low (pH 4.5-6) -0.70 0.36 -62.87 1 8 -1 116 280.26 4

Activity (Go SEA)

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