UCSF

ZINC44638846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 3.21 7.78 -7.81 1 4 0 45 263.385 6
Mid Mid (pH 6-8) 3.21 8.16 -30.15 2 4 1 46 264.393 6

Activity (Go SEA)

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