UCSF

ZINC04848437

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 28 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) 4.17 8.87 -33.36 3 6 1 69 374.42 4
Hi High (pH 8-9.5) 4.17 8.48 -14.43 2 6 0 68 373.412 4

Activity (Go SEA)

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