UCSF

ZINC42767751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.95 5.71 -34.4 4 3 1 55 286.424 3
Mid Mid (pH 6-8) 1.95 7.81 -88.3 5 3 2 56 287.432 3

Activity (Go SEA)

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