UCSF

ZINC09116232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 4.26 -2.43 -18.02 1 6 0 75 488.968 8
Hi High (pH 8-9.5) 4.26 -1.85 -54.39 0 6 -1 77 487.96 8

Activity (Go SEA)

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