UCSF

ZINC17112413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 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) 4.11 8.05 -14.12 2 5 0 71 318.808 4
Hi High (pH 8-9.5) 4.56 7.97 -39.83 1 5 -1 74 317.8 4

Activity (Go SEA)

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