UCSF

ZINC42674054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 29 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) 2.31 9.39 -51.11 2 6 1 63 396.511 8
Mid Mid (pH 6-8) 2.31 6.86 -13.48 1 6 0 62 395.503 8

Activity (Go SEA)

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