UCSF

ZINC09062537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 25 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) 3.73 10.36 -47.43 2 4 1 43 339.459 6
Hi High (pH 8-9.5) 3.73 8.11 -9.81 1 4 0 42 338.451 6

Activity (Go SEA)

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