UCSF

ZINC53113928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.73 7.56 -12.44 0 4 0 34 298.312 5
Mid Mid (pH 6-8) 1.73 9.86 -51.83 1 4 1 35 299.32 5

Activity (Go SEA)

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