UCSF

ZINC02541400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 2.63 -0.33 -13.14 1 3 0 45 246.266 1
Hi High (pH 8-9.5) 3.09 5.1 -40.73 0 3 -1 49 245.258 1

Activity (Go SEA)

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