UCSF

ZINC01051437

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 26 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) 4.31 7.46 -16.81 2 5 0 75 389.477 4
Hi High (pH 8-9.5) 4.77 6.09 -49.06 1 5 -1 78 388.469 4

Activity (Go SEA)

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