UCSF

ZINC57050900

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2011 28 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) 2.59 6.18 -50.32 3 5 1 48 385.576 8
Hi High (pH 8-9.5) 2.59 4.83 -7.94 2 5 0 44 384.568 8
Mid Mid (pH 6-8) 2.59 8.66 -113.57 4 5 2 49 386.584 8

Activity (Go SEA)

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