UCSF

ZINC16684180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 27 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) 5.46 9.31 -10.2 1 5 0 64 382.485 5
Mid Mid (pH 6-8) 4.97 9.37 -44.59 0 5 -1 63 381.477 6
Lo Low (pH 4.5-6) 4.97 9.86 -16.07 1 5 0 60 382.485 6

Activity (Go SEA)

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