UCSF

ZINC16741221

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 4.54 11.64 -12.18 1 5 0 71 444.506 6
Mid Mid (pH 6-8) 3.96 12.33 -17.87 0 5 0 67 444.506 6
Lo Low (pH 4.5-6) 4.99 11.61 -54.63 2 5 1 72 445.514 5
Lo Low (pH 4.5-6) 3.96 12.6 -52.47 1 5 1 69 445.514 6

Activity (Go SEA)

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