UCSF

ZINC43424345

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.66 5.78 -116.1 4 3 2 41 268.445 2
Mid Mid (pH 6-8) 2.66 4.44 -46.35 3 3 1 40 267.437 2

Activity (Go SEA)

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