UCSF

ZINC34947368

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.22 -4.93 -14.49 6 9 0 145 280.288 2
Mid Mid (pH 6-8) -2.22 -4.63 -48.96 7 9 1 147 281.296 2

Activity (Go SEA)

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