UCSF

ZINC06498796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 32 No

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) 3.64 2.14 -53.51 2 6 1 71 441.523 9
Mid Mid (pH 6-8) 3.05 2.03 -65.32 1 6 1 68 441.523 9

Activity (Go SEA)

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