UCSF

ZINC09241171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 No

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 9.21 -56.41 2 8 0 104 482.577 10
Hi High (pH 8-9.5) 3.30 6.67 -46.07 1 8 -1 102 481.569 10

Activity (Go SEA)

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