UCSF

ZINC48784677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 1.97 5.31 -38.07 3 5 1 66 268.381 4
Hi High (pH 8-9.5) 1.97 3.95 -5.92 2 5 0 61 267.373 4

Activity (Go SEA)

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