UCSF

ZINC43908147

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) 2.48 7 -129.04 3 4 2 40 264.369 4
Mid Mid (pH 6-8) 2.48 5.87 -37.1 2 4 1 35 263.361 4

Activity (Go SEA)

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