UCSF

ZINC06510478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 23 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) 1.83 -8.77 -16.04 3 7 0 115 356.425 5
Hi High (pH 8-9.5) 1.83 -8.19 -47.41 2 7 -1 117 355.417 5

Activity (Go SEA)

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