UCSF

ZINC39973904

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 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) 3.44 6.49 -10.6 1 6 0 92 306.343 4
Mid Mid (pH 6-8) 3.44 6.5 -39.85 0 6 -1 94 305.335 4

Activity (Go SEA)

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