UCSF

ZINC42457029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 2.80 7.58 -36.16 1 3 1 22 244.79 5
Hi High (pH 8-9.5) 2.80 5.27 -4.12 0 3 0 21 243.782 5

Activity (Go SEA)

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