UCSF

ZINC08818278

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 2.74 8.89 -61.08 0 8 -1 109 457.462 8
Mid Mid (pH 6-8) 3.19 8.58 -16.75 1 8 0 106 458.47 7
Lo Low (pH 4.5-6) 2.74 9.11 -47 2 8 1 107 459.478 8
Lo Low (pH 4.5-6) 2.16 9.47 -48.28 1 8 1 104 459.478 8

Activity (Go SEA)

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