UCSF

ZINC45686316

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.81 6.1 -44.37 3 4 1 63 278.372 6
Hi High (pH 8-9.5) 2.81 4.97 -7.44 2 4 0 59 277.364 6

Activity (Go SEA)

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