UCSF

ZINC09317520

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 26 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) 4.24 8.41 -15.03 1 5 0 60 368.458 5
Hi High (pH 8-9.5) 4.31 7.35 -61.07 0 5 -1 67 367.45 5

Activity (Go SEA)

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