UCSF

ZINC02583903

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) 1.16 7.21 -86.59 2 3 2 18 214.353 6
Hi High (pH 8-9.5) 1.16 4.64 -29.42 1 3 1 17 213.345 6

Activity (Go SEA)

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