UCSF

ZINC43968802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 2.75 5.58 -30.1 2 3 1 29 243.415 8
Hi High (pH 8-9.5) 2.75 4.1 -0.88 1 3 0 24 242.407 8
Hi High (pH 8-9.5) 2.75 6.59 -26.47 2 3 1 26 243.415 8

Activity (Go SEA)

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