UCSF

ZINC06480793

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 26 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) 4.22 11.57 -36.14 1 5 1 51 367.86 3
Mid Mid (pH 6-8) 4.22 9.2 -7.74 0 5 0 49 366.852 3

Activity (Go SEA)

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