UCSF

ZINC39696774

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 0.04 3.61 -52.91 3 8 1 91 462.64 6
Mid Mid (pH 6-8) 0.04 6.02 -107.86 4 8 2 93 463.648 6

Activity (Go SEA)

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