UCSF

ZINC43425102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.22 3.16 -46.12 3 4 1 49 277.388 4
Hi High (pH 8-9.5) 0.22 2.74 -4.79 2 4 0 48 276.38 4
Lo Low (pH 4.5-6) 0.22 4.95 -125.03 4 4 2 51 278.396 4

Activity (Go SEA)

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