UCSF

ZINC59753202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 20 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) 1.72 6.45 -54.83 2 6 1 63 278.332 4
Hi High (pH 8-9.5) 1.72 4.04 -17.09 1 6 0 62 277.324 4

Activity (Go SEA)

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