UCSF

ZINC37232563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.77 9.32 -48.29 2 3 1 34 246.378 7
Hi High (pH 8-9.5) 3.77 7.96 -8.13 1 3 0 29 245.37 7
Lo Low (pH 4.5-6) 3.77 9.77 -96.83 3 3 2 35 247.386 7

Activity (Go SEA)

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