UCSF

ZINC35765426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 3.69 9.26 -124.33 4 2 2 32 284.447 5
Hi High (pH 8-9.5) 3.69 8.91 -29.54 3 2 1 30 283.439 5
Mid Mid (pH 6-8) 3.69 7.76 -47.34 3 2 1 31 283.439 5

Activity (Go SEA)

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