UCSF

ZINC16927791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 26 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) 2.28 2.98 -117.06 0 8 -2 121 392.462 7
Mid Mid (pH 6-8) 2.28 2.68 -49.38 1 8 -1 119 393.47 7
Lo Low (pH 4.5-6) 2.28 2.39 -17.32 2 8 0 117 394.478 7

Activity (Go SEA)

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