UCSF

ZINC59167880

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 18 No

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) 4.44 8.62 -114.61 4 2 2 32 256.478 9
Mid Mid (pH 6-8) 4.44 8.27 -28.4 3 2 1 30 255.47 9
Mid Mid (pH 6-8) 4.44 6.67 -40.84 3 2 1 31 255.47 9

Activity (Go SEA)

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