UCSF

ZINC34962223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 2.99 13.92 -62.25 1 8 1 62 525.073 6
Mid Mid (pH 6-8) 2.99 11.57 -19.81 0 8 0 61 524.065 6

Activity (Go SEA)

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