UCSF

ZINC34681054

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 4.46 12.22 -18.31 1 6 0 66 505.352 4
Lo Low (pH 4.5-6) 4.46 12.52 -52.26 2 6 1 67 506.36 4

Activity (Go SEA)

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