UCSF

ZINC04391417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 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) 3.92 -0.13 -53.49 0 7 -1 105 438.843 6
Mid Mid (pH 6-8) 4.37 0.1 -53.32 0 7 -1 105 438.843 6

Activity (Go SEA)

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