UCSF

ZINC48261464

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 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) 1.42 4.59 -39.05 1 6 1 60 289.359 5
Hi High (pH 8-9.5) 1.42 2.35 -8.35 0 6 0 59 288.351 5
Mid Mid (pH 6-8) 1.42 4.59 -36.42 1 6 1 60 289.359 5

Activity (Go SEA)

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