UCSF

ZINC42763755

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.00 8.15 -46.22 1 5 1 59 287.767 7
Hi High (pH 8-9.5) 3.00 6.01 -8.7 0 5 0 58 286.759 7

Activity (Go SEA)

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