UCSF

ZINC42581043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) 3.92 9.79 -126.27 4 2 2 32 290.495 5
Hi High (pH 8-9.5) 3.92 8.54 -43.15 3 2 1 31 289.487 5
Hi High (pH 8-9.5) 3.92 9.54 -33.48 3 2 1 30 289.487 5

Activity (Go SEA)

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