UCSF

ZINC19740106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 29 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) 3.45 8.11 -45.57 1 5 1 35 397.539 5
Hi High (pH 8-9.5) 3.45 5.9 -7.92 0 5 0 34 396.531 5

Activity (Go SEA)

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