UCSF

ZINC39982690

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 23 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) 2.38 5.86 -12.95 2 6 0 79 326.381 3
Mid Mid (pH 6-8) 2.57 4.2 -48.63 1 6 -1 86 325.373 3

Activity (Go SEA)

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