UCSF

ZINC02577395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 2.05 7.09 -48.04 2 2 1 22 201.293 1
Hi High (pH 8-9.5) 2.05 5.71 -4.61 1 2 0 17 200.285 1

Activity (Go SEA)

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