UCSF

ZINC42515848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.59 4.27 -51.26 2 6 1 78 255.342 8
Hi High (pH 8-9.5) -0.59 2.21 -17.21 1 6 0 76 254.334 8

Activity (Go SEA)

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