UCSF

ZINC42588078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.90 10.55 -30.44 1 2 1 22 260.401 7
Hi High (pH 8-9.5) 3.90 8.87 -4.62 0 2 0 20 259.393 7

Activity (Go SEA)

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