UCSF

ZINC40800746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 2.41 4.64 -43.53 2 7 1 96 336.821 6
Hi High (pH 8-9.5) 2.41 2.43 -9.88 1 7 0 95 335.813 6
Hi High (pH 8-9.5) 2.41 4.75 -34.39 1 7 0 99 335.813 6

Activity (Go SEA)

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