UCSF

ZINC09526080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 4.07 7.08 -10.42 1 6 0 92 418.212 4
Hi High (pH 8-9.5) 4.07 7.16 -36.83 0 6 -1 94 417.204 4

Activity (Go SEA)

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