UCSF

ZINC43388375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 3.06 9.16 -126.6 3 2 2 21 272.795 5
Mid Mid (pH 6-8) 3.06 7.35 -45.7 2 2 1 20 271.787 5
Mid Mid (pH 6-8) 3.06 7.79 -35.42 2 2 1 16 271.787 5

Activity (Go SEA)

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