UCSF

ZINC42460240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.51 2.86 -36.28 2 3 1 29 201.334 7
Hi High (pH 8-9.5) 1.51 1.66 -2.49 1 3 0 24 200.326 7
Lo Low (pH 4.5-6) 1.51 5.27 -108.52 3 3 2 30 202.342 7

Activity (Go SEA)

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