UCSF

ZINC16734390

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) 3.79 9.8 -58.95 0 7 -1 92 444.463 9
Mid Mid (pH 6-8) 4.24 8.65 -27.93 1 7 0 89 445.471 8
Mid Mid (pH 6-8) 3.21 9.67 -18.87 0 7 0 86 445.471 9

Activity (Go SEA)

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