UCSF

ZINC12402115

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 36 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) 5.07 8.35 -45.78 1 6 -1 83 521.478 8
Mid Mid (pH 6-8) 4.48 3.18 -37.37 2 6 1 79 523.494 8
Mid Mid (pH 6-8) 4.53 9.47 -18.49 2 6 0 77 522.486 9

Activity (Go SEA)

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