UCSF

ZINC44679511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.87 4.52 -38.85 4 3 1 46 246.378 4
Hi High (pH 8-9.5) 1.87 5.65 -31.98 4 3 1 42 246.378 4
Lo Low (pH 4.5-6) 1.87 6.86 -108.86 5 3 2 47 247.386 4

Activity (Go SEA)

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