UCSF

ZINC44839464

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 3.98 6.93 -39.52 0 6 -1 94 360.198 5
Mid Mid (pH 6-8) 3.98 6.77 -16.07 1 6 0 92 361.206 5

Activity (Go SEA)

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