UCSF

ZINC30142067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2009 20 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) 2.92 8.22 -52.58 2 4 1 57 272.372 4
Hi High (pH 8-9.5) 2.92 5.87 -11.41 1 4 0 56 271.364 4

Activity (Go SEA)

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