UCSF

ZINC39795867

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 16 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) 3.07 6.02 -4.74 0 3 0 30 262.136 4
Mid Mid (pH 6-8) 3.07 8.16 -39.26 1 3 1 31 263.144 4

Activity (Go SEA)

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