UCSF

ZINC19201529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 26 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) 1.00 5.58 -17.59 1 8 0 85 394.526 8
Hi High (pH 8-9.5) 1.18 4.51 -44.28 0 8 -1 92 393.518 8

Activity (Go SEA)

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