UCSF

ZINC16161421

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 5.15 9.76 -11.25 0 4 0 38 347.462 4
Ref Reference (pH 7) 5.15 9.86 -10.19 0 4 0 38 347.462 4
Mid Mid (pH 6-8) 5.15 12.04 -42.57 1 4 1 39 348.47 4
Mid Mid (pH 6-8) 5.15 12.14 -40.8 1 4 1 39 348.47 4

Activity (Go SEA)

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