UCSF

ZINC16976170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 28 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) 5.07 8.4 -11.2 1 6 0 73 398.484 5
Ref Reference (pH 7) 5.07 8.73 -11.48 1 6 0 73 398.484 5
Mid Mid (pH 6-8) 4.58 8.81 -43.46 0 6 -1 72 397.476 6
Lo Low (pH 4.5-6) 4.58 8.97 -16.62 1 6 0 70 398.484 6

Activity (Go SEA)

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