UCSF

ZINC34946534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 1.62 3.88 -139.33 6 7 1 119 432.566 13
Mid Mid (pH 6-8) 1.62 2.52 -68.48 5 7 0 114 431.558 13
Mid Mid (pH 6-8) 1.62 2.54 -65.44 5 7 0 114 431.558 13

Activity (Go SEA)

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