UCSF

ZINC04245622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 30 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) 2.40 11.79 -43.96 2 7 0 103 416.518 10
Mid Mid (pH 6-8) 2.40 10.68 -50.29 1 7 -1 99 415.51 10

Activity (Go SEA)

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