UCSF

ZINC43447465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 1.99 5.28 -31.41 3 6 1 73 293.391 7
Hi High (pH 8-9.5) 1.99 4.81 -8.74 2 6 0 72 292.383 7

Activity (Go SEA)

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