UCSF

ZINC52503696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 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) 2.99 5.23 -35.7 2 3 1 33 270.466 7
Hi High (pH 8-9.5) 2.99 4.05 -2.82 1 3 0 28 269.458 7

Activity (Go SEA)

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