UCSF

ZINC08428720

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 22 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) 2.34 8.83 -52.36 2 3 1 35 316.446 5
Hi High (pH 8-9.5) 2.34 7.63 -8.11 1 3 0 30 315.438 5

Activity (Go SEA)

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