UCSF

ZINC42369942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 No

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) -0.64 4.13 -30.34 2 5 0 74 216.281 7
Hi High (pH 8-9.5) -0.64 2.66 -42.88 1 5 -1 72 215.273 7

Activity (Go SEA)

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