UCSF

ZINC06294920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

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) 3.06 7.59 -44.58 0 6 -1 83 397.457 5
Mid Mid (pH 6-8) 3.06 -1.41 -12.77 1 6 0 79 398.465 5
Mid Mid (pH 6-8) 2.48 -1.51 -18.48 0 6 0 76 398.465 5

Activity (Go SEA)

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