UCSF

ZINC06624580

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 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) 3.30 8.94 -16.48 1 7 0 79 410.47 4
Hi High (pH 8-9.5) 3.30 9.93 -54.6 0 7 -1 82 409.462 4

Activity (Go SEA)

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