UCSF

ZINC33783264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 27 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) 6.53 13.44 -18.96 1 4 0 51 380.513 8
Hi High (pH 8-9.5) 6.05 12.53 -52.85 0 4 -1 58 379.505 8

Activity (Go SEA)

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