UCSF

ZINC16284693

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 5.06 10.13 -10.2 0 4 0 38 347.462 3
Mid Mid (pH 6-8) 5.06 12.41 -41.54 1 4 1 39 348.47 3
Mid Mid (pH 6-8) 5.06 11.9 -42.12 1 4 1 39 348.47 3

Activity (Go SEA)

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