UCSF

ZINC42490406

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.85 4.36 -37.92 4 4 1 63 214.333 7
Hi High (pH 8-9.5) 1.85 2.36 -4.28 3 4 0 62 213.325 7

Activity (Go SEA)

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