UCSF

ZINC42553815

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.28 8.58 -45.19 2 3 1 34 246.378 5
Hi High (pH 8-9.5) 3.28 7.48 -7.94 1 3 0 29 245.37 5
Lo Low (pH 4.5-6) 3.28 9.02 -94.67 3 3 2 35 247.386 5

Activity (Go SEA)

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