UCSF

ZINC12859902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 16 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) 0.57 1.01 -16.44 1 5 0 81 244.268 5
Hi High (pH 8-9.5) 0.57 1.78 -47.75 0 5 -1 84 243.26 5

Activity (Go SEA)

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