UCSF

ZINC45654238

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) 1.93 5.9 -45.48 2 5 1 48 280.392 6
Hi High (pH 8-9.5) 1.93 3.44 -8.66 1 5 0 47 279.384 6

Activity (Go SEA)

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