UCSF

ZINC28838547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 28 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) 3.30 7.4 -23.1 1 7 0 86 394.456 4
Hi High (pH 8-9.5) 3.37 6.5 -46.22 0 7 -1 92 393.448 4

Activity (Go SEA)

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