UCSF

ZINC41291957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) -0.20 7.93 -68.47 0 6 -1 78 260.273 4
Mid Mid (pH 6-8) -0.20 8.21 -56.09 1 6 0 79 261.281 4

Activity (Go SEA)

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