UCSF

ZINC48456470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 19 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) 1.33 5.64 -111.8 4 5 2 61 265.405 4
Hi High (pH 8-9.5) 1.33 3.05 -8.43 2 5 0 58 263.389 4
Mid Mid (pH 6-8) 1.33 3.44 -55.82 3 5 1 60 264.397 4
Lo Low (pH 4.5-6) 1.33 5.81 -191.62 5 5 3 62 266.413 4

Activity (Go SEA)

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