UCSF

ZINC37846493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.70 5.63 -46.91 3 3 1 40 277.432 8
Mid Mid (pH 6-8) 2.70 6.76 -30.14 3 3 1 40 277.432 8
Mid Mid (pH 6-8) 2.70 7.26 -124.37 4 3 2 41 278.44 8

Activity (Go SEA)

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