UCSF

ZINC37786515

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.48 6.09 -37.48 2 4 1 37 282.452 3
Mid Mid (pH 6-8) 1.48 4.99 -47.87 2 4 1 40 282.452 3
Lo Low (pH 4.5-6) 1.48 7.05 -116.07 3 4 2 41 283.46 3

Activity (Go SEA)

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