UCSF

ZINC71163102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 21 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) 4.68 9.71 -33.87 2 2 1 29 305.511 4
Hi High (pH 8-9.5) 4.68 8.7 -3.85 1 2 0 25 304.503 4
Lo Low (pH 4.5-6) 4.68 10.07 -89.57 3 2 2 31 306.519 4

Activity (Go SEA)

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