UCSF

ZINC02599493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 18 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) -1.08 2.76 -58.55 3 5 1 68 248.306 2
Hi High (pH 8-9.5) -1.08 2.38 -15.09 2 5 0 67 247.298 2

Activity (Go SEA)

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