UCSF

ZINC42862660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.50 2.19 -48.89 3 3 1 44 246.425 7
Hi High (pH 8-9.5) 0.50 3.62 -33.49 3 3 1 43 246.425 7
Lo Low (pH 4.5-6) 0.50 4 -128.2 4 3 2 45 247.433 7

Activity (Go SEA)

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