UCSF

ZINC33768148

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 2.23 8.73 -44.1 0 8 -1 113 448.48 6
Lo Low (pH 4.5-6) 2.23 7.44 -19.74 1 8 0 110 449.488 6

Activity (Go SEA)

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