UCSF

ZINC02584602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 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) 0.76 0.22 -46.7 2 4 -1 81 201.585 2
Hi High (pH 8-9.5) 0.76 0.89 -100.33 1 4 -2 83 200.577 2

Activity (Go SEA)

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