UCSF

ZINC62653748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 18 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) 0.62 4.91 -10.24 1 4 0 43 250.342 5
Mid Mid (pH 6-8) 0.62 6.34 -38.08 2 4 1 48 251.35 5

Activity (Go SEA)

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