UCSF

ZINC42189591

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 2.97 3.96 -12.44 3 4 0 70 283.327 2
Hi High (pH 8-9.5) 2.97 4.97 -63.32 2 4 -1 72 282.319 2

Activity (Go SEA)

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