UCSF

ZINC52545295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 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) 2.85 6.47 -31.41 2 3 1 29 257.442 10
Hi High (pH 8-9.5) 2.85 5.94 -26.43 2 3 1 26 257.442 10
Hi High (pH 8-9.5) 2.85 5.57 -0.22 1 3 0 24 256.434 10
Mid Mid (pH 6-8) 2.85 7.08 -105.89 3 3 2 30 258.45 10

Activity (Go SEA)

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