UCSF

ZINC06526208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 21 No

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) 3.42 8.16 -21.03 1 6 0 88 323.761 3
Hi High (pH 8-9.5) 3.48 7.28 -43.67 0 6 -1 94 322.753 3

Activity (Go SEA)

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