UCSF

ZINC44832273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 No

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) 0.38 4.55 -36.21 4 4 1 60 258.411 6
Hi High (pH 8-9.5) 0.56 2.52 -39.45 3 4 0 66 257.403 6

Activity (Go SEA)

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