UCSF

ZINC39156341

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 22 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) 2.69 3.44 -12.48 2 5 0 76 300.31 5
Hi High (pH 8-9.5) 2.69 4.47 -54.04 1 5 -1 79 299.302 5

Activity (Go SEA)

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