UCSF

ZINC19484114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 2.79 6.44 -97.51 4 4 2 50 281.444 4
Hi High (pH 8-9.5) 2.79 4.21 -38.58 3 4 1 49 280.436 4

Activity (Go SEA)

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