UCSF

ZINC33815990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 0.30 1.51 -16.46 2 6 0 84 351.584 3
Hi High (pH 8-9.5) 0.76 -0.29 -50.01 1 6 -1 87 350.576 3

Activity (Go SEA)

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