UCSF

ZINC62978083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 1.77 8.42 -96.71 4 3 2 35 275.44 5
Hi High (pH 8-9.5) 1.77 6.02 -40.33 3 3 1 34 274.432 5
Lo Low (pH 4.5-6) 1.77 8.11 -208.77 5 3 3 37 276.448 5

Activity (Go SEA)

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