UCSF

ZINC43900346

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.77 7.55 -107.19 3 3 2 30 268.445 3
Hi High (pH 8-9.5) 2.77 4.23 -0.98 1 3 0 24 266.429 3
Mid Mid (pH 6-8) 2.77 5.57 -30.08 2 3 1 26 267.437 3

Activity (Go SEA)

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