UCSF

ZINC04550991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 27 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) 3.04 7.09 -21.63 2 9 0 129 368.349 5
Hi High (pH 8-9.5) 3.50 5.21 -46.88 1 9 -1 132 367.341 5

Activity (Go SEA)

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