UCSF

ZINC39870279

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 5.38 11.59 -14.08 1 6 0 88 367.43 4
Mid Mid (pH 6-8) 5.38 10.94 -39.96 0 6 -1 90 366.422 4

Activity (Go SEA)

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