UCSF

ZINC05817987

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 10 Yes

Other Names:

MFCD03161186

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) -0.40 4.04 -43.1 0 4 -1 58 139.134 2
Mid Mid (pH 6-8) -0.40 4.55 -39.08 1 4 0 59 140.142 2

Activity (Go SEA)

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