UCSF

ZINC02092092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 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) 2.46 7.76 -27.84 2 7 0 83 416.428 3
Hi High (pH 8-9.5) 1.72 2.78 -19.49 2 7 0 90 416.428 4

Activity (Go SEA)

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