UCSF

ZINC09335493

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 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) 4.26 6.8 -17.2 2 6 0 85 432.448 7
Hi High (pH 8-9.5) 4.26 -1.86 -44.76 1 6 -1 86 431.44 7

Activity (Go SEA)

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