UCSF

ZINC06785103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 31 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) 3.67 12.11 -44.86 2 5 1 62 423.508 8
Mid Mid (pH 6-8) 3.09 12.62 -44.93 1 5 1 59 423.508 9

Activity (Go SEA)

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