UCSF

ZINC37255467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 3.30 8.84 -45.09 2 3 1 34 246.378 5
Hi High (pH 8-9.5) 3.30 7.82 -8.09 1 3 0 29 245.37 5
Lo Low (pH 4.5-6) 3.30 9.29 -94.8 3 3 2 35 247.386 5

Activity (Go SEA)

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