UCSF

ZINC06860942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 30 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) 4.16 12.28 -20.81 1 7 0 86 442.614 8
Hi High (pH 8-9.5) 4.34 11.21 -50.61 0 7 -1 92 441.606 8

Activity (Go SEA)

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