UCSF

ZINC44679359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 0.82 5.15 -82.67 4 3 2 33 225.38 4
Hi High (pH 8-9.5) 0.82 4.91 -109.25 4 3 2 33 225.38 4
Hi High (pH 8-9.5) 0.82 2.76 -35.4 3 3 1 32 224.372 4
Hi High (pH 8-9.5) 0.82 2.52 -38.14 3 3 1 32 224.372 4
Lo Low (pH 4.5-6) 0.82 3.85 -108.25 4 3 2 36 225.38 4

Activity (Go SEA)

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