UCSF

ZINC33779848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 5.00 11.43 -23.37 1 8 0 94 492.601 8
Hi High (pH 8-9.5) 5.19 10.36 -42.58 0 8 -1 100 491.593 8

Activity (Go SEA)

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