UCSF

ZINC39919055

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.91 7.07 -25.65 2 10 0 116 522.602 7
Mid Mid (pH 6-8) 1.91 9.36 -59.57 3 10 1 118 523.61 7

Activity (Go SEA)

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